8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one

C19H22N4O3 — CID 127051087

IUPAC8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cncnc23)cc(OC)c1CN(C)C
InChIInChI=1S/C19H22N4O3/c1-22(2)9-15-16(25-4)6-12(7-17(15)26-5)14-10-23(3)19(24)13-8-20-11-21-18(13)14/h6-8,10-11H,9H2,1-5H3
InChIKeySZKYAPUMPFTJEP-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.07
Rot. Bonds5

About 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one

8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 127051087) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one
PubChem CID127051087
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cncnc23)cc(OC)c1CN(C)C
InChIInChI=1S/C19H22N4O3/c1-22(2)9-15-16(25-4)6-12(7-17(15)26-5)14-10-23(3)19(24)13-8-20-11-21-18(13)14/h6-8,10-11H,9H2,1-5H3
InChIKeySZKYAPUMPFTJEP-UHFFFAOYSA-N
XLogP2.07
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one (CID 127051087) is 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one is COc1cc(-c2cn(C)c(=O)c3cncnc23)cc(OC)c1CN(C)C.
What is the InChIKey of 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is SZKYAPUMPFTJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22(2)9-15-16(25-4)6-12(7-17(15)26-5)14-10-23(3)19(24)13-8-20-11-21-18(13)14/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one?
8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 354.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 127051087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).