4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C21H21ClN4O2 — CID 24909012

IUPAC4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CN2CCc3nc(-c4ccc(Cl)cc4)ncc3C2)c1O
InChIInChI=1S/C21H21ClN4O2/c1-13-20(28)18(16(12-27)9-23-13)11-26-7-6-19-15(10-26)8-24-21(25-19)14-2-4-17(22)5-3-14/h2-5,8-9,27-28H,6-7,10-12H2,1H3
InChIKeyFYVNKSOVQVSBQX-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.26
Rot. Bonds4

About 4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 24909012) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID24909012
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CN2CCc3nc(-c4ccc(Cl)cc4)ncc3C2)c1O
InChIInChI=1S/C21H21ClN4O2/c1-13-20(28)18(16(12-27)9-23-13)11-26-7-6-19-15(10-26)8-24-21(25-19)14-2-4-17(22)5-3-14/h2-5,8-9,27-28H,6-7,10-12H2,1H3
InChIKeyFYVNKSOVQVSBQX-UHFFFAOYSA-N
XLogP3.26
TPSA82.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928899
2-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzene-1,3,5-triol
CID 24928479
2-chloro-3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]phenol
CID 24929130
6-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916569
2-(4-chlorophenyl)-6-[(1-methylindol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909054
6-[(2-chloro-6-methyl-3-pyridinyl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916590
2-(4-chlorophenyl)-6-[(2,3-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928227
1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909282
5-[[2-(4-aminophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4,6-dichloropyrimidin-2-amine
CID 24912891
4-[6-[(2-chloro-6-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24929274
2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909324
2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930012

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 24909012) is 4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(CN2CCc3nc(-c4ccc(Cl)cc4)ncc3C2)c1O.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is FYVNKSOVQVSBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-13-20(28)18(16(12-27)9-23-13)11-26-7-6-19-15(10-26)8-24-21(25-19)14-2-4-17(22)5-3-14/h2-5,8-9,27-28H,6-7,10-12H2,1H3.
What are the key properties of 4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 396.88 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 24909012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).