6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C20H21N5O2 — CID 56754015

IUPAC6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3Cc4cnc(CC(C)C)nc4C3)c(=O)n12
InChIInChI=1S/C20H21N5O2/c1-12(2)7-17-21-8-14-10-24(11-16(14)23-17)19(26)15-9-22-18-6-4-5-13(3)25(18)20(15)27/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeyKDVCCZSAXIYIDS-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.15
Rot. Bonds3

About 6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56754015) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56754015
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3Cc4cnc(CC(C)C)nc4C3)c(=O)n12
InChIInChI=1S/C20H21N5O2/c1-12(2)7-17-21-8-14-10-24(11-16(14)23-17)19(26)15-9-22-18-6-4-5-13(3)25(18)20(15)27/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeyKDVCCZSAXIYIDS-UHFFFAOYSA-N
XLogP2.15
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 56754015) is 6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2ncc(C(=O)N3Cc4cnc(CC(C)C)nc4C3)c(=O)n12.
What is the InChIKey of 6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KDVCCZSAXIYIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12(2)7-17-21-8-14-10-24(11-16(14)23-17)19(26)15-9-22-18-6-4-5-13(3)25(18)20(15)27/h4-6,8-9,12H,7,10-11H2,1-3H3.
What are the key properties of 6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 363.42 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56754015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).