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

C21H21N3O — CID 137299237

IUPAC4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol
SMILESCc1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C21H21N3O/c1-15-22-20-11-12-24(13-16-5-3-2-4-6-16)14-19(20)21(23-15)17-7-9-18(25)10-8-17/h2-10,25H,11-14H2,1H3
InChIKeyFIGLJJVYKIFDSV-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.72
Rot. Bonds3

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

4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol (PubChem CID 137299237) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol.

Molecular Properties

Compound Name4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol
PubChem CID137299237
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol
SMILESCc1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C21H21N3O/c1-15-22-20-11-12-24(13-16-5-3-2-4-6-16)14-19(20)21(23-15)17-7-9-18(25)10-8-17/h2-10,25H,11-14H2,1H3
InChIKeyFIGLJJVYKIFDSV-UHFFFAOYSA-N
XLogP3.72
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-methyl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299099
4-[2-methyl-6-(naphthalen-1-ylmethyl)-5,7,8,9-tetrahydropyrimido[5,4-c]azepin-4-yl]phenol
CID 137299160
(2-chlorophenyl)-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 137299150
4-[2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299248
4-(7-benzyl-4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenol
CID 155345009
4-[2-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299117
6-benzyl-2-(3,5-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine
CID 122460623
(3R)-1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
CID 92565044
4-(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)phenol
CID 155901005
6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 59447643
2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
CID 121370928
1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 110219431

Frequently Asked Questions

What is the IUPAC name of 4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol?
The IUPAC name of 4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol (CID 137299237) is 4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol.
What is the SMILES notation for 4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol?
The canonical SMILES for 4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol is Cc1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol?
The InChIKey is FIGLJJVYKIFDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-22-20-11-12-24(13-16-5-3-2-4-6-16)14-19(20)21(23-15)17-7-9-18(25)10-8-17/h2-10,25H,11-14H2,1H3.
What are the key properties of 4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol?
4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol has a molecular weight of 331.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol is sourced from PubChem (CID 137299237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).