1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide

C16H20N4O4 — CID 53007734

IUPAC1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)c2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C16H20N4O4/c1-9-7-11(14(21)17-8-10-5-4-6-24-10)12-13(18-9)19(2)16(23)20(3)15(12)22/h7,10H,4-6,8H2,1-3H3,(H,17,21)
InChIKeyUOKRRPBDCCPSHV-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.15
Rot. Bonds3

About 1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide

1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53007734) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID53007734
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)c2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C16H20N4O4/c1-9-7-11(14(21)17-8-10-5-4-6-24-10)12-13(18-9)19(2)16(23)20(3)15(12)22/h7,10H,4-6,8H2,1-3H3,(H,17,21)
InChIKeyUOKRRPBDCCPSHV-UHFFFAOYSA-N
XLogP-0.15
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46291470
6-cyclopropyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148427
N-(oxolan-2-ylmethyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 44827563
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 939665
2-methyl-8-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46334731
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236449
2-[7-(3-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 43935887
2,3,5-trimethyl-4-oxo-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 52985518
6-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324688

Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (CID 53007734) is 1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is Cc1cc(C(=O)NCC2CCCO2)c2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is UOKRRPBDCCPSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-9-7-11(14(21)17-8-10-5-4-6-24-10)12-13(18-9)19(2)16(23)20(3)15(12)22/h7,10H,4-6,8H2,1-3H3,(H,17,21).
What are the key properties of 1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 332.36 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53007734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).