2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol

C91H112F2N22O5 — CID 159143875

IUPAC2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol
SMILESCC[C@@H](N)CNc1nc(-c2cc(C)ccc2O)nc(C)c1F.CC[C@@H](N)CNc1nc(-c2cc(C)ccc2O)ncc1-c1ccccc1.CC[C@@H](N)CNc1nc(-c2cc(C)ccc2O)ncc1-c1cn[nH]c1.CC[C@@H](N)CNc1nc(-c2cc(C)ccc2O)ncc1F.Cc1ccc(O)c(-c2nc(NC[C@H](N)CC(C)C)c3ccccc3n2)c1
InChIInChI=1S/C21H26N4O.C21H24N4O.C18H22N6O.C16H21FN4O.C15H19FN4O/c1-13(2)10-15(22)12-23-20-16-6-4-5-7-18(16)24-21(25-20)17-11-14(3)8-9-19(17)26;1-3-16(22)12-23-21-18(15-7-5-4-6-8-15)13-24-20(25-21)17-11-14(2)9-10-19(17)26;1-3-13(19)9-20-18-15(12-7-22-23-8-12)10-21-17(24-18)14-6-11(2)4-5-16(14)25;1-4-11(18)8-19-16-14(17)10(3)20-15(21-16)12-7-9(2)5-6-13(12)22;1-3-10(17)7-18-15-12(16)8-19-14(20-15)11-6-9(2)4-5-13(11)21/h4-9,11,13,15,26H,10,12,22H2,1-3H3,(H,23,24,25);4-11,13,16,26H,3,12,22H2,1-2H3,(H,23,24,25);4-8,10,13,25H,3,9,19H2,1-2H3,(H,22,23)(H,20,21,24);5-7,11,22H,4,8,18H2,1-3H3,(H,19,20,21);4-6,8,10,21H,3,7,17H2,1-2H3,(H,18,19,20)/t15-;16-;13-;11-;10-/m11111/s1
InChIKeyKIKZEUHPWCHBGP-MPMJOTCTSA-N
MW1632.04 g/mol
LogP15.97
Rot. Bonds28

About 2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol

2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol (PubChem CID 159143875) has the molecular formula C91H112F2N22O5 and a molecular weight of 1632.04 g/mol. Its IUPAC name is 2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol
PubChem CID159143875
Molecular FormulaC91H112F2N22O5
Molecular Weight1632.04 g/mol
Exact Mass1630.92
IUPAC Name2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol
SMILESCC[C@@H](N)CNc1nc(-c2cc(C)ccc2O)nc(C)c1F.CC[C@@H](N)CNc1nc(-c2cc(C)ccc2O)ncc1-c1ccccc1.CC[C@@H](N)CNc1nc(-c2cc(C)ccc2O)ncc1-c1cn[nH]c1.CC[C@@H](N)CNc1nc(-c2cc(C)ccc2O)ncc1F.Cc1ccc(O)c(-c2nc(NC[C@H](N)CC(C)C)c3ccccc3n2)c1
InChIInChI=1S/C21H26N4O.C21H24N4O.C18H22N6O.C16H21FN4O.C15H19FN4O/c1-13(2)10-15(22)12-23-20-16-6-4-5-7-18(16)24-21(25-20)17-11-14(3)8-9-19(17)26;1-3-16(22)12-23-21-18(15-7-5-4-6-8-15)13-24-20(25-21)17-11-14(2)9-10-19(17)26;1-3-13(19)9-20-18-15(12-7-22-23-8-12)10-21-17(24-18)14-6-11(2)4-5-16(14)25;1-4-11(18)8-19-16-14(17)10(3)20-15(21-16)12-7-9(2)5-6-13(12)22;1-3-10(17)7-18-15-12(16)8-19-14(20-15)11-6-9(2)4-5-13(11)21/h4-9,11,13,15,26H,10,12,22H2,1-3H3,(H,23,24,25);4-11,13,16,26H,3,12,22H2,1-2H3,(H,23,24,25);4-8,10,13,25H,3,9,19H2,1-2H3,(H,22,23)(H,20,21,24);5-7,11,22H,4,8,18H2,1-3H3,(H,19,20,21);4-6,8,10,21H,3,7,17H2,1-2H3,(H,18,19,20)/t15-;16-;13-;11-;10-/m11111/s1
InChIKeyKIKZEUHPWCHBGP-MPMJOTCTSA-N
XLogP15.97
TPSA448.98 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001632.04
LogP ≤ 515.97
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Analyze 2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol with MolForge

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Related Compounds

4-(1h-Pyrazol-5-Yl)-2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
CID 135566382
2-(4-((3s,4r)-4-(2-Hydroxypropan-2-yl)pyrrolidin-3-ylamino)quinazolin-2-yl)-4-(1h-pyrazol-4-yl)phenol
CID 136068463
2-(4-((3s,4r)-4-(2-Hydroxypropan-2-yl)pyrrolidin-3-ylamino)quinazolin-2-yl)-4-(1h-pyrazol-3-yl)phenol
CID 136068516
(s)-4-(1h-Pyrazol-4-yl)-2-(4-(pyrrolidin-3-ylamino)quinazolin-2-yl)phenol
CID 136068537
4-(1H-pyrazol-5-yl)-2-[4-[[(3S)-pyrrolidin-1-ium-3-yl]amino]quinazolin-2-yl]phenol
CID 136246371
US10730882, Example 35
CID 135281149
4-[4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperazin-1-yl]phenol
CID 22031302
(S)-2-(7-(1H-Pyrazol-4-yl)-4-(pyrrolidin-3-ylamino)quinazolin-2-yl)-4-fluorophenol
CID 135921473
4-fluoro-2-[7-(1H-pyrazol-4-yl)-4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol
CID 136349916
4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone
CID 158473172
1-[4-[(6R,7R)-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-6-methyl-7-(5-methyl-1H-indazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[(7S)-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[(7R)-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 159243791
5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167120091

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol?
The IUPAC name of 2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol (CID 159143875) is 2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol.
What is the SMILES notation for 2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol?
The canonical SMILES for 2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol is CC[C@@H](N)CNc1nc(-c2cc(C)ccc2O)nc(C)c1F.CC[C@@H](N)CNc1nc(-c2cc(C)ccc2O)ncc1-c1ccccc1.CC[C@@H](N)CNc1nc(-c2cc(C)ccc2O)ncc1-c1cn[nH]c1.CC[C@@H](N)CNc1nc(-c2cc(C)ccc2O)ncc1F.Cc1ccc(O)c(-c2nc(NC[C@H](N)CC(C)C)c3ccccc3n2)c1.
What is the InChIKey of 2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol?
The InChIKey is KIKZEUHPWCHBGP-MPMJOTCTSA-N. The full InChI is InChI=1S/C21H26N4O.C21H24N4O.C18H22N6O.C16H21FN4O.C15H19FN4O/c1-13(2)10-15(22)12-23-20-16-6-4-5-7-18(16)24-21(25-20)17-11-14(3)8-9-19(17)26;1-3-16(22)12-23-21-18(15-7-5-4-6-8-15)13-24-20(25-21)17-11-14(2)9-10-19(17)26;1-3-13(19)9-20-18-15(12-7-22-23-8-12)10-21-17(24-18)14-6-11(2)4-5-16(14)25;1-4-11(18)8-19-16-14(17)10(3)20-15(21-16)12-7-9(2)5-6-13(12)22;1-3-10(17)7-18-15-12(16)8-19-14(20-15)11-6-9(2)4-5-13(11)21/h4-9,11,13,15,26H,10,12,22H2,1-3H3,(H,23,24,25);4-11,13,16,26H,3,12,22H2,1-2H3,(H,23,24,25);4-8,10,13,25H,3,9,19H2,1-2H3,(H,22,23)(H,20,21,24);5-7,11,22H,4,8,18H2,1-3H3,(H,19,20,21);4-6,8,10,21H,3,7,17H2,1-2H3,(H,18,19,20)/t15-;16-;13-;11-;10-/m11111/s1.
What are the key properties of 2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol?
2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol has a molecular weight of 1632.04 g/mol, XLogP of 15.97, 28 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol is sourced from PubChem (CID 159143875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).