2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine

C60H52N22O2 — CID 91562957

IUPAC2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)ccc1CC(=O)O.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1
InChIInChI=1S/C20H18N6O2.C17H14N6.C12H11N5.C11H9N5/c1-12-10-14(7-6-13(12)11-18(27)28)22-20-23-16-5-3-2-4-15(16)19(25-20)24-17-8-9-21-26-17;1-2-6-12(7-3-1)19-17-20-14-9-5-4-8-13(14)16(22-17)21-15-10-11-18-23-15;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;1-2-4-9-8(3-1)11(13-7-12-9)15-10-5-6-14-16-10/h2-10H,11H2,1H3,(H,27,28)(H3,21,22,23,24,25,26);1-11H,(H3,18,19,20,21,22,23);2-7H,1H3,(H2,13,14,15,16,17);1-7H,(H2,12,13,14,15,16)
InChIKeyKPGFJQGSDRPQAD-UHFFFAOYSA-N
MW1113.23 g/mol
LogP12.12
Rot. Bonds14

About 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine

2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine (PubChem CID 91562957) has the molecular formula C60H52N22O2 and a molecular weight of 1113.23 g/mol. Its IUPAC name is 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
PubChem CID91562957
Molecular FormulaC60H52N22O2
Molecular Weight1113.23 g/mol
Exact Mass1112.46
IUPAC Name2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)ccc1CC(=O)O.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1
InChIInChI=1S/C20H18N6O2.C17H14N6.C12H11N5.C11H9N5/c1-12-10-14(7-6-13(12)11-18(27)28)22-20-23-16-5-3-2-4-15(16)19(25-20)24-17-8-9-21-26-17;1-2-6-12(7-3-1)19-17-20-14-9-5-4-8-13(14)16(22-17)21-15-10-11-18-23-15;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;1-2-4-9-8(3-1)11(13-7-12-9)15-10-5-6-14-16-10/h2-10H,11H2,1H3,(H,27,28)(H3,21,22,23,24,25,26);1-11H,(H3,18,19,20,21,22,23);2-7H,1H3,(H2,13,14,15,16,17);1-7H,(H2,12,13,14,15,16)
InChIKeyKPGFJQGSDRPQAD-UHFFFAOYSA-N
XLogP12.12
TPSA327.32 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001113.23
LogP ≤ 512.12
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine with MolForge

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Related Compounds

2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid
CID 20604256
2-N-(4-methyl-3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 90706558
2-N-(4-ethyl-3-methylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 90720628
2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 90808839
N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 90972489
2-N-(3-methylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 90987619
N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]benzonitrile;N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 91123763
2-N-(4-methylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 91385660
methyl 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetate
CID 145850461
2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;1-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-2-one;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]acetonitrile;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-2-one;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile
CID 157853038
Ethyl 1-methyl-4-[[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]methyl]cyclohexane-1-carboxylate;methane;1-methyl-4-[[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]methyl]cyclohexane-1-carboxylic acid
CID 158076297
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 158106312

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine (CID 91562957) is 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine is Cc1cc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)ccc1CC(=O)O.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1.
What is the InChIKey of 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The InChIKey is KPGFJQGSDRPQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2.C17H14N6.C12H11N5.C11H9N5/c1-12-10-14(7-6-13(12)11-18(27)28)22-20-23-16-5-3-2-4-15(16)19(25-20)24-17-8-9-21-26-17;1-2-6-12(7-3-1)19-17-20-14-9-5-4-8-13(14)16(22-17)21-15-10-11-18-23-15;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;1-2-4-9-8(3-1)11(13-7-12-9)15-10-5-6-14-16-10/h2-10H,11H2,1H3,(H,27,28)(H3,21,22,23,24,25,26);1-11H,(H3,18,19,20,21,22,23);2-7H,1H3,(H2,13,14,15,16,17);1-7H,(H2,12,13,14,15,16).
What are the key properties of 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?
2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine has a molecular weight of 1113.23 g/mol, XLogP of 12.12, 14 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 91562957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).