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

C22H29N3O — CID 24916463

IUPAC2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1CC1c1ccc(CN2CCc3nc(C4CCCCC4)ncc3C2)o1
InChIInChI=1S/C22H29N3O/c1-15-11-19(15)21-8-7-18(26-21)14-25-10-9-20-17(13-25)12-23-22(24-20)16-5-3-2-4-6-16/h7-8,12,15-16,19H,2-6,9-11,13-14H2,1H3
InChIKeyKIGOVHGNFAEEKE-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.80
Rot. Bonds4

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

2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24916463) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24916463
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1CC1c1ccc(CN2CCc3nc(C4CCCCC4)ncc3C2)o1
InChIInChI=1S/C22H29N3O/c1-15-11-19(15)21-8-7-18(26-21)14-25-10-9-20-17(13-25)12-23-22(24-20)16-5-3-2-4-6-16/h7-8,12,15-16,19H,2-6,9-11,13-14H2,1H3
InChIKeyKIGOVHGNFAEEKE-UHFFFAOYSA-N
XLogP4.80
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916450
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003
4-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2,5-dimethyl-1,3-oxazole
CID 24913625
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-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929927
2-cyclohexyl-6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915182
2-cyclohexyl-6-[(2-fluoro-5-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929528
2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917302
2-cyclohexyl-6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911297
2-cyclohexyl-6-[(2-methoxy-5-nitrophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929801
6-[(2-chloro-5-nitrophenyl)methyl]-2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929213
2-cyclopropyl-6-[(2,5-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928853

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24916463) is 2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC1CC1c1ccc(CN2CCc3nc(C4CCCCC4)ncc3C2)o1.
What is the InChIKey of 2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is KIGOVHGNFAEEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-15-11-19(15)21-8-7-18(26-21)14-25-10-9-20-17(13-25)12-23-22(24-20)16-5-3-2-4-6-16/h7-8,12,15-16,19H,2-6,9-11,13-14H2,1H3.
What are the key properties of 2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 351.49 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24916463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).