2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H22F3N3 — CID 24929927

IUPAC2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1cc(CN2CCc3nc(C4CCCCC4)ncc3C2)cc(F)c1F
InChIInChI=1S/C20H22F3N3/c21-16-8-13(9-17(22)19(16)23)11-26-7-6-18-15(12-26)10-24-20(25-18)14-4-2-1-3-5-14/h8-10,14H,1-7,11-12H2
InChIKeyXNUNZVBXKUQWFX-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.50
Rot. Bonds3

About 2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24929927) has the molecular formula C20H22F3N3 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24929927
Molecular FormulaC20H22F3N3
Molecular Weight361.41 g/mol
Exact Mass361.18
IUPAC Name2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1cc(CN2CCc3nc(C4CCCCC4)ncc3C2)cc(F)c1F
InChIInChI=1S/C20H22F3N3/c21-16-8-13(9-17(22)19(16)23)11-26-7-6-18-15(12-26)10-24-20(25-18)14-4-2-1-3-5-14/h8-10,14H,1-7,11-12H2
InChIKeyXNUNZVBXKUQWFX-UHFFFAOYSA-N
XLogP4.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-6-[(2-fluoro-5-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929528
2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928937
2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917302
5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole
CID 24915098
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003
2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113
2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914549
2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 24912494
2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914573
2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914300
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918242
2-cyclohexyl-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915413

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24929927) is 2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1cc(CN2CCc3nc(C4CCCCC4)ncc3C2)cc(F)c1F.
What is the InChIKey of 2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XNUNZVBXKUQWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3/c21-16-8-13(9-17(22)19(16)23)11-26-7-6-18-15(12-26)10-24-20(25-18)14-4-2-1-3-5-14/h8-10,14H,1-7,11-12H2.
What are the key properties of 2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 361.41 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24929927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).