2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride

C35H39ClF2N10O — CID 172841370

IUPAC2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCC(C)CNCc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1.CC(CO)NCc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1.Cl
InChIInChI=1S/C18H20FN5.C17H18FN5O.ClH/c1-11(2)8-21-9-12-5-13(7-14(19)6-12)15-3-4-16-17(24-15)18(20)23-10-22-16;1-10(8-24)20-7-11-4-12(6-13(18)5-11)14-2-3-15-16(23-14)17(19)22-9-21-15;/h3-7,10-11,21H,8-9H2,1-2H3,(H2,20,22,23);2-6,9-10,20,24H,7-8H2,1H3,(H2,19,21,22);1H
InChIKeyWVKQKRZEQYMLHM-UHFFFAOYSA-N
MW689.22 g/mol
LogP5.46
Rot. Bonds10

About 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride

2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 172841370) has the molecular formula C35H39ClF2N10O and a molecular weight of 689.22 g/mol. Its IUPAC name is 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID172841370
Molecular FormulaC35H39ClF2N10O
Molecular Weight689.22 g/mol
Exact Mass688.30
IUPAC Name2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCC(C)CNCc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1.CC(CO)NCc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1.Cl
InChIInChI=1S/C18H20FN5.C17H18FN5O.ClH/c1-11(2)8-21-9-12-5-13(7-14(19)6-12)15-3-4-16-17(24-15)18(20)23-10-22-16;1-10(8-24)20-7-11-4-12(6-13(18)5-11)14-2-3-15-16(23-14)17(19)22-9-21-15;/h3-7,10-11,21H,8-9H2,1-2H3,(H2,20,22,23);2-6,9-10,20,24H,7-8H2,1H3,(H2,19,21,22);1H
InChIKeyWVKQKRZEQYMLHM-UHFFFAOYSA-N
XLogP5.46
TPSA173.67 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500689.22
LogP ≤ 55.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride with MolForge

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Related Compounds

6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90055141
6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 90054705
6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90054806
6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 122602509
1-[4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperazin-1-yl]-2-methylpropan-1-one;6-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 157237091
4-amino-6-[3-fluoro-5-[1-piperidin-1-yl-2-(sulfinoamino)ethyl]phenyl]pyrido[3,2-d]pyrimidine
CID 146500916
6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 72705104
bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
CID 160664483
N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine
CID 141388856
(2S)-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 94999639
(2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol
CID 133428083
2-methyl-N-[(3-pyridin-2-ylphenyl)methyl]propan-1-amine
CID 122602486

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride (CID 172841370) is 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride is CC(C)CNCc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1.CC(CO)NCc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1.Cl.
What is the InChIKey of 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is WVKQKRZEQYMLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5.C17H18FN5O.ClH/c1-11(2)8-21-9-12-5-13(7-14(19)6-12)15-3-4-16-17(24-15)18(20)23-10-22-16;1-10(8-24)20-7-11-4-12(6-13(18)5-11)14-2-3-15-16(23-14)17(19)22-9-21-15;/h3-7,10-11,21H,8-9H2,1-2H3,(H2,20,22,23);2-6,9-10,20,24H,7-8H2,1H3,(H2,19,21,22);1H.
What are the key properties of 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 689.22 g/mol, XLogP of 5.46, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 172841370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).