1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione

C21H18N4O2 — CID 16809673

IUPAC1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1
InChIInChI=1S/C21H18N4O2/c1-15-4-6-16(7-5-15)13-24-18-3-2-10-23-19(18)20(26)25(21(24)27)14-17-8-11-22-12-9-17/h2-12H,13-14H2,1H3
InChIKeyLMGAABGHNPSQPM-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.36
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione

1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 16809673) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID16809673
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1
InChIInChI=1S/C21H18N4O2/c1-15-4-6-16(7-5-15)13-24-18-3-2-10-23-19(18)20(26)25(21(24)27)14-17-8-11-22-12-9-17/h2-12H,13-14H2,1H3
InChIKeyLMGAABGHNPSQPM-UHFFFAOYSA-N
XLogP2.36
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione (CID 16809673) is 1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione is Cc1ccc(Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is LMGAABGHNPSQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-15-4-6-16(7-5-15)13-24-18-3-2-10-23-19(18)20(26)25(21(24)27)14-17-8-11-22-12-9-17/h2-12H,13-14H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16809673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).