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

C15H13N3O2 — CID 20994638

IUPAC3-[(4-methylphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)[nH]c3cccnc3c2=O)cc1
InChIInChI=1S/C15H13N3O2/c1-10-4-6-11(7-5-10)9-18-14(19)13-12(17-15(18)20)3-2-8-16-13/h2-8H,9H2,1H3,(H,17,20)
InChIKeyVKSXRFZESOTOBV-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.44
Rot. Bonds2

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

3-[(4-methylphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 20994638) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID20994638
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[(4-methylphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)[nH]c3cccnc3c2=O)cc1
InChIInChI=1S/C15H13N3O2/c1-10-4-6-11(7-5-10)9-18-14(19)13-12(17-15(18)20)3-2-8-16-13/h2-8H,9H2,1H3,(H,17,20)
InChIKeyVKSXRFZESOTOBV-UHFFFAOYSA-N
XLogP1.44
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide
CID 156596360
2-mercapto-3-pyridin-3-ylquinazolin-4(3H)-one
CID 2725832
3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 710792
(3S)-1-(2-cyclopropylethyl)-N-[5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluoro-3-pyridinyl]pyrrolidine-3-carboxamide
CID 137632887
2-Mercapto-6-methyl-3-(3-pyridyl)-3,4-dihydroquinazolin-4-one
CID 2725833
3-[(4-Methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 4235151
2-(6-methylpyridin-2-yl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one
CID 2921692
N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide
CID 9839114
3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10139154
3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10182620
3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937455
3-amino-6-(4-(methylcarbamoyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 52937456

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(4-methylphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione (CID 20994638) is 3-[(4-methylphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione is Cc1ccc(Cn2c(=O)[nH]c3cccnc3c2=O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is VKSXRFZESOTOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-4-6-11(7-5-10)9-18-14(19)13-12(17-15(18)20)3-2-8-16-13/h2-8H,9H2,1H3,(H,17,20).
What are the key properties of 3-[(4-methylphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
3-[(4-methylphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 267.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 20994638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).