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

C21H20FN5O2 — CID 67238064

IUPAC2-amino-7-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ccc(-c2cc(F)ccc2C2Cc3nc(N)nc(C)c3C(=O)N2C)cn1
InChIInChI=1S/C21H20FN5O2/c1-11-19-16(26-21(23)25-11)9-17(27(2)20(19)28)14-6-5-13(22)8-15(14)12-4-7-18(29-3)24-10-12/h4-8,10,17H,9H2,1-3H3,(H2,23,25,26)
InChIKeyWVNLROJIMORLPL-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.95
Rot. Bonds3

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

2-amino-7-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 67238064) 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-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID67238064
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-amino-7-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ccc(-c2cc(F)ccc2C2Cc3nc(N)nc(C)c3C(=O)N2C)cn1
InChIInChI=1S/C21H20FN5O2/c1-11-19-16(26-21(23)25-11)9-17(27(2)20(19)28)14-6-5-13(22)8-15(14)12-4-7-18(29-3)24-10-12/h4-8,10,17H,9H2,1-3H3,(H2,23,25,26)
InChIKeyWVNLROJIMORLPL-UHFFFAOYSA-N
XLogP2.95
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
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-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 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) is 2-amino-7-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is COc1ccc(-c2cc(F)ccc2C2Cc3nc(N)nc(C)c3C(=O)N2C)cn1.
What is the InChIKey of 2-amino-7-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is WVNLROJIMORLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-11-19-16(26-21(23)25-11)9-17(27(2)20(19)28)14-6-5-13(22)8-15(14)12-4-7-18(29-3)24-10-12/h4-8,10,17H,9H2,1-3H3,(H2,23,25,26).
What are the key properties of 2-amino-7-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
2-amino-7-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 393.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 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-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 67238064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).