5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C18H20N6O — CID 50924739

IUPAC5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCN(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1
InChIInChI=1S/C18H20N6O/c1-23(2)15-7-4-11(9-19-15)13-8-14-16(18(25)24(3)10-20-14)17(22-13)21-12-5-6-12/h4,7-10,12H,5-6H2,1-3H3,(H,21,22)
InChIKeyOGAQLLSDWARITR-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.03
Rot. Bonds4

About 5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 50924739) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID50924739
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCN(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1
InChIInChI=1S/C18H20N6O/c1-23(2)15-7-4-11(9-19-15)13-8-14-16(18(25)24(3)10-20-14)17(22-13)21-12-5-6-12/h4,7-10,12H,5-6H2,1-3H3,(H,21,22)
InChIKeyOGAQLLSDWARITR-UHFFFAOYSA-N
XLogP2.03
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 50924739) is 5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is CN(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1.
What is the InChIKey of 5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OGAQLLSDWARITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23(2)15-7-4-11(9-19-15)13-8-14-16(18(25)24(3)10-20-14)17(22-13)21-12-5-6-12/h4,7-10,12H,5-6H2,1-3H3,(H,21,22).
What are the key properties of 5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 336.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50924739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).