6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H21N5O — CID 135919653

IUPAC6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCc1ccc(CN2CCc3nc(-c4cncnc4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C20H21N5O/c1-2-14-3-5-15(6-4-14)11-25-8-7-18-17(12-25)20(26)24-19(23-18)16-9-21-13-22-10-16/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,23,24,26)
InChIKeyAUWNANMDNFCFPL-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.35
Rot. Bonds4

About 6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135919653) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135919653
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCc1ccc(CN2CCc3nc(-c4cncnc4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C20H21N5O/c1-2-14-3-5-15(6-4-14)11-25-8-7-18-17(12-25)20(26)24-19(23-18)16-9-21-13-22-10-16/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,23,24,26)
InChIKeyAUWNANMDNFCFPL-UHFFFAOYSA-N
XLogP2.35
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-butoxyphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919374
6-[(6-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944171
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944886
6-[(6-phenyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944451
6-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919733
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945131
6-[(6-ethyl-4-oxochromen-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862783
3-[(4-oxo-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]benzonitrile
CID 135919056
6-(pyrazin-2-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943631
2-phenyl-6-[(4-propylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920104
6-[(2,3-dihydroxyphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916679
6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862423

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135919653) is 6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCc1ccc(CN2CCc3nc(-c4cncnc4)[nH]c(=O)c3C2)cc1.
What is the InChIKey of 6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AUWNANMDNFCFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-14-3-5-15(6-4-14)11-25-8-7-18-17(12-25)20(26)24-19(23-18)16-9-21-13-22-10-16/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,23,24,26).
What are the key properties of 6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 347.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135919653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).