2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C21H20FN5O2 — CID 90355850

IUPAC2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cccc(-c2cc(F)ccc2C2NC(=O)c3c(C)nc(N)nc3C2C)n1
InChIInChI=1S/C21H20FN5O2/c1-10-18(26-20(28)17-11(2)24-21(23)27-19(10)17)13-8-7-12(22)9-14(13)15-5-4-6-16(25-15)29-3/h4-10,18H,1-3H3,(H,26,28)(H2,23,24,27)
InChIKeyWCOBFCBUTQNQFU-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.17
Rot. Bonds3

About 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 90355850) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID90355850
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cccc(-c2cc(F)ccc2C2NC(=O)c3c(C)nc(N)nc3C2C)n1
InChIInChI=1S/C21H20FN5O2/c1-10-18(26-20(28)17-11(2)24-21(23)27-19(10)17)13-8-7-12(22)9-14(13)15-5-4-6-16(25-15)29-3/h4-10,18H,1-3H3,(H,26,28)(H2,23,24,27)
InChIKeyWCOBFCBUTQNQFU-UHFFFAOYSA-N
XLogP3.17
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 90355850) is 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is COc1cccc(-c2cc(F)ccc2C2NC(=O)c3c(C)nc(N)nc3C2C)n1.
What is the InChIKey of 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is WCOBFCBUTQNQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-10-18(26-20(28)17-11(2)24-21(23)27-19(10)17)13-8-7-12(22)9-14(13)15-5-4-6-16(25-15)29-3/h4-10,18H,1-3H3,(H,26,28)(H2,23,24,27).
What are the key properties of 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 393.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4,8-dimethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 90355850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).