2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

C22H23FN6O3 — CID 67238018

IUPAC2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCCN1C(=O)c2c(C)nc(N)nc2CC1c1ccc(F)cc1-c1cnc(OC)nc1OC
InChIInChI=1S/C22H23FN6O3/c1-5-29-17(9-16-18(20(29)30)11(2)26-21(24)27-16)13-7-6-12(23)8-14(13)15-10-25-22(32-4)28-19(15)31-3/h6-8,10,17H,5,9H2,1-4H3,(H2,24,26,27)
InChIKeyWYLBBGPVCWUWRF-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.74
Rot. Bonds5

About 2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 67238018) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is 2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID67238018
Molecular FormulaC22H23FN6O3
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC Name2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCCN1C(=O)c2c(C)nc(N)nc2CC1c1ccc(F)cc1-c1cnc(OC)nc1OC
InChIInChI=1S/C22H23FN6O3/c1-5-29-17(9-16-18(20(29)30)11(2)26-21(24)27-16)13-7-6-12(23)8-14(13)15-10-25-22(32-4)28-19(15)31-3/h6-8,10,17H,5,9H2,1-4H3,(H2,24,26,27)
InChIKeyWYLBBGPVCWUWRF-UHFFFAOYSA-N
XLogP2.74
TPSA116.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67238285
2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67238114
(7R)-2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-6-(2-methylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 57424890
2-amino-7-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67238064
2-amino-7-[2-(2-chloro-4-methoxypyrimidin-5-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 87839785
(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-6-(oxan-4-ylmethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 57424877
(7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 57424871
(7R)-2-amino-6-[(2,4-dimethoxyphenyl)methyl]-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 57424864
2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450194
2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450112
2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67237434
2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 46216383

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 67238018) is 2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is CCN1C(=O)c2c(C)nc(N)nc2CC1c1ccc(F)cc1-c1cnc(OC)nc1OC.
What is the InChIKey of 2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is WYLBBGPVCWUWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3/c1-5-29-17(9-16-18(20(29)30)11(2)26-21(24)27-16)13-7-6-12(23)8-14(13)15-10-25-22(32-4)28-19(15)31-3/h6-8,10,17H,5,9H2,1-4H3,(H2,24,26,27).
What are the key properties of 2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 438.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 67238018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).