2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one

C21H18FN9O — CID 66864069

IUPAC2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCc1ccc2nc(C(C)Nc3nc(N)nc4nc[nH]c34)n(-c3cccc(F)c3)c(=O)c2n1
InChIInChI=1S/C21H18FN9O/c1-10-6-7-14-15(26-10)20(32)31(13-5-3-4-12(22)8-13)19(28-14)11(2)27-18-16-17(25-9-24-16)29-21(23)30-18/h3-9,11H,1-2H3,(H4,23,24,25,27,29,30)
InChIKeyUMKOWNOYNGQWOQ-UHFFFAOYSA-N
MW431.44 g/mol
LogP2.65
Rot. Bonds4

About 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one

2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 66864069) has the molecular formula C21H18FN9O and a molecular weight of 431.44 g/mol. Its IUPAC name is 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one
PubChem CID66864069
Molecular FormulaC21H18FN9O
Molecular Weight431.44 g/mol
Exact Mass431.16
IUPAC Name2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCc1ccc2nc(C(C)Nc3nc(N)nc4nc[nH]c34)n(-c3cccc(F)c3)c(=O)c2n1
InChIInChI=1S/C21H18FN9O/c1-10-6-7-14-15(26-10)20(32)31(13-5-3-4-12(22)8-13)19(28-14)11(2)27-18-16-17(25-9-24-16)29-21(23)30-18/h3-9,11H,1-2H3,(H4,23,24,25,27,29,30)
InChIKeyUMKOWNOYNGQWOQ-UHFFFAOYSA-N
XLogP2.65
TPSA140.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[(1S)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-chloro-3-(3,5-difluorophenyl)quinazolin-4-one
CID 69374634
2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-methyl-3-phenylquinazolin-4-one
CID 11611303
5-fluoro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043702
6-fluoro-3-phenyl-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043854
3-(3,5-difluorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044120
3-(3,4-difluorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044127
3-(4-chlorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044334
4-[[(1S)-1-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137294839
6-fluoro-3-[3-(oxan-4-yloxy)phenyl]-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 57488700
6-methyl-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 129129564
2-amino-4-[1-[3-(3-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118493957
5-chloro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73053371

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one (CID 66864069) is 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one is Cc1ccc2nc(C(C)Nc3nc(N)nc4nc[nH]c34)n(-c3cccc(F)c3)c(=O)c2n1.
What is the InChIKey of 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is UMKOWNOYNGQWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN9O/c1-10-6-7-14-15(26-10)20(32)31(13-5-3-4-12(22)8-13)19(28-14)11(2)27-18-16-17(25-9-24-16)29-21(23)30-18/h3-9,11H,1-2H3,(H4,23,24,25,27,29,30).
What are the key properties of 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one?
2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 431.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 66864069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).