2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C21H21N3O — CID 152635319

IUPAC2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1nc(Cc2ccccc2)nc2c1CNCC2c1ccccc1
InChIInChI=1S/C21H21N3O/c1-25-21-18-14-22-13-17(16-10-6-3-7-11-16)20(18)23-19(24-21)12-15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3
InChIKeyZEKINJDISYTLBP-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.31
Rot. Bonds4

About 2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 152635319) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID152635319
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1nc(Cc2ccccc2)nc2c1CNCC2c1ccccc1
InChIInChI=1S/C21H21N3O/c1-25-21-18-14-22-13-17(16-10-6-3-7-11-16)20(18)23-19(24-21)12-15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3
InChIKeyZEKINJDISYTLBP-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-5-bromo-4,6-dimethoxypyrimidine
CID 165347996
2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741385
4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine
CID 143872889
2-benzyl-4,6-dimethyl-1,3,5-triazine
CID 118594943
2-[(3-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739988
2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742724
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
2-[(4-methoxyphenyl)methyl]-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741105
benzylbenzene;methoxymethane
CID 161110966
5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine
CID 2223258
5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole
CID 123628458
N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102079

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 152635319) is 2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COc1nc(Cc2ccccc2)nc2c1CNCC2c1ccccc1.
What is the InChIKey of 2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is ZEKINJDISYTLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-25-21-18-14-22-13-17(16-10-6-3-7-11-16)20(18)23-19(24-21)12-15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3.
What are the key properties of 2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 331.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 152635319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).