4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol

C20H20N4O — CID 24929728

IUPAC4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
SMILESCc1ccc(O)c(CN2CCc3nc(-c4ccncc4)ncc3C2)c1
InChIInChI=1S/C20H20N4O/c1-14-2-3-19(25)16(10-14)12-24-9-6-18-17(13-24)11-22-20(23-18)15-4-7-21-8-5-15/h2-5,7-8,10-11,25H,6,9,12-13H2,1H3
InChIKeyZEQQTCMUPPKGSU-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.11
Rot. Bonds3

About 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol

4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol (PubChem CID 24929728) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
PubChem CID24929728
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
SMILESCc1ccc(O)c(CN2CCc3nc(-c4ccncc4)ncc3C2)c1
InChIInChI=1S/C20H20N4O/c1-14-2-3-19(25)16(10-14)12-24-9-6-18-17(13-24)11-22-20(23-18)15-4-7-21-8-5-15/h2-5,7-8,10-11,25H,6,9,12-13H2,1H3
InChIKeyZEQQTCMUPPKGSU-UHFFFAOYSA-N
XLogP3.11
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[6-[(2,5-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24928854
6-[(4-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913723
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913429
4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24909127
5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24912169
6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909880
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913681
5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine
CID 24913513
6-[(5-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917775
6-[(4-methyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917088
2-methyl-6-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929641
6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911410

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol?
The IUPAC name of 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol (CID 24929728) is 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol.
What is the SMILES notation for 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol?
The canonical SMILES for 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol is Cc1ccc(O)c(CN2CCc3nc(-c4ccncc4)ncc3C2)c1.
What is the InChIKey of 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol?
The InChIKey is ZEQQTCMUPPKGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-2-3-19(25)16(10-14)12-24-9-6-18-17(13-24)11-22-20(23-18)15-4-7-21-8-5-15/h2-5,7-8,10-11,25H,6,9,12-13H2,1H3.
What are the key properties of 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol?
4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol has a molecular weight of 332.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol is sourced from PubChem (CID 24929728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).