2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H27N3 — CID 24908452

IUPAC2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC=C(C)C1CC=C(CN2CCc3nc(-c4ccccc4)ncc3C2)CC1
InChIInChI=1S/C23H27N3/c1-17(2)19-10-8-18(9-11-19)15-26-13-12-22-21(16-26)14-24-23(25-22)20-6-4-3-5-7-20/h3-8,14,19H,1,9-13,15-16H2,2H3
InChIKeyDUGPTFYLDUQCTR-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.80
Rot. Bonds4

About 2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24908452) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24908452
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC=C(C)C1CC=C(CN2CCc3nc(-c4ccccc4)ncc3C2)CC1
InChIInChI=1S/C23H27N3/c1-17(2)19-10-8-18(9-11-19)15-26-13-12-22-21(16-26)14-24-23(25-22)20-6-4-3-5-7-20/h3-8,14,19H,1,9-13,15-16H2,2H3
InChIKeyDUGPTFYLDUQCTR-UHFFFAOYSA-N
XLogP4.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908461
2-phenyl-6-[(2-phenylpyrimidin-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912922
2-methyl-6-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929641
1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine
CID 782801
6-[(1-methylimidazol-4-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913300
[5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
CID 24908641
6-[(3,5-dibromo-4-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915736
6-[(2-ethoxyphenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929368
2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid
CID 24917856
6-[(5-bromofuran-2-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910108
6-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913048
6-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929242

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24908452) is 2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is C=C(C)C1CC=C(CN2CCc3nc(-c4ccccc4)ncc3C2)CC1.
What is the InChIKey of 2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DUGPTFYLDUQCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-17(2)19-10-8-18(9-11-19)15-26-13-12-22-21(16-26)14-24-23(25-22)20-6-4-3-5-7-20/h3-8,14,19H,1,9-13,15-16H2,2H3.
What are the key properties of 2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 345.49 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24908452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).