2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

C14H17N5O — CID 175648366

IUPAC2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccnc(N2CCc3nc(C)n(C)c(=O)c3C2)n1
InChIInChI=1S/C14H17N5O/c1-9-4-6-15-14(16-9)19-7-5-12-11(8-19)13(20)18(3)10(2)17-12/h4,6H,5,7-8H2,1-3H3
InChIKeyLAKFJIZUHROZSI-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.75
Rot. Bonds1

About 2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 175648366) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID175648366
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccnc(N2CCc3nc(C)n(C)c(=O)c3C2)n1
InChIInChI=1S/C14H17N5O/c1-9-4-6-15-14(16-9)19-7-5-12-11(8-19)13(20)18(3)10(2)17-12/h4,6H,5,7-8H2,1-3H3
InChIKeyLAKFJIZUHROZSI-UHFFFAOYSA-N
XLogP0.75
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 175648366) is 2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is Cc1ccnc(N2CCc3nc(C)n(C)c(=O)c3C2)n1.
What is the InChIKey of 2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LAKFJIZUHROZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9-4-6-15-14(16-9)19-7-5-12-11(8-19)13(20)18(3)10(2)17-12/h4,6H,5,7-8H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 271.32 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(4-methylpyrimidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 175648366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).