5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C19H20N4O2 — CID 50924737

IUPAC5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOCc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-23-11-20-16-9-15(13-5-3-12(4-6-13)10-25-2)22-18(17(16)19(23)24)21-14-7-8-14/h3-6,9,11,14H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyJEXQNADEYRUSFP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.72
Rot. Bonds5

About 5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 50924737) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID50924737
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOCc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-23-11-20-16-9-15(13-5-3-12(4-6-13)10-25-2)22-18(17(16)19(23)24)21-14-7-8-14/h3-6,9,11,14H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyJEXQNADEYRUSFP-UHFFFAOYSA-N
XLogP2.72
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 50924737) is 5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is COCc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1.
What is the InChIKey of 5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is JEXQNADEYRUSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-23-11-20-16-9-15(13-5-3-12(4-6-13)10-25-2)22-18(17(16)19(23)24)21-14-7-8-14/h3-6,9,11,14H,7-8,10H2,1-2H3,(H,21,22).
What are the key properties of 5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 336.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-7-[4-(methoxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50924737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).