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

C20H23F3N4 — CID 24917302

IUPAC2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1ccncc1CN1CCc2nc(C3CCCCC3)ncc2C1
InChIInChI=1S/C20H23F3N4/c21-20(22,23)17-6-8-24-10-15(17)12-27-9-7-18-16(13-27)11-25-19(26-18)14-4-2-1-3-5-14/h6,8,10-11,14H,1-5,7,9,12-13H2
InChIKeyDHGPSNQWWBHHQR-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.50
Rot. Bonds3

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

2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24917302) has the molecular formula C20H23F3N4 and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24917302
Molecular FormulaC20H23F3N4
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1ccncc1CN1CCc2nc(C3CCCCC3)ncc2C1
InChIInChI=1S/C20H23F3N4/c21-20(22,23)17-6-8-24-10-15(17)12-27-9-7-18-16(13-27)11-25-19(26-18)14-4-2-1-3-5-14/h6,8,10-11,14H,1-5,7,9,12-13H2
InChIKeyDHGPSNQWWBHHQR-UHFFFAOYSA-N
XLogP4.50
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-pyrimidin-5-yl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917298
2-pyridin-3-yl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917293
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929927
2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947468
2-cyclohexyl-6-[(2-fluoro-5-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929528
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003
2-cyclohexyl-6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915182
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-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911297
N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide
CID 24911654
2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917677
6-[(2-chloro-5-nitrophenyl)methyl]-2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929213

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24917302) is 2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is FC(F)(F)c1ccncc1CN1CCc2nc(C3CCCCC3)ncc2C1.
What is the InChIKey of 2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DHGPSNQWWBHHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4/c21-20(22,23)17-6-8-24-10-15(17)12-27-9-7-18-16(13-27)11-25-19(26-18)14-4-2-1-3-5-14/h6,8,10-11,14H,1-5,7,9,12-13H2.
What are the key properties of 2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 376.43 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24917302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).