2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C18H20N2 — CID 170558621

IUPAC2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1(c2nc3c(c(-c4ccccc4)n2)CCC3)CCC1
InChIInChI=1S/C18H20N2/c1-18(11-6-12-18)17-19-15-10-5-9-14(15)16(20-17)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeyRDQCDLUXEMOPEH-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.07
Rot. Bonds2

About 2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 170558621) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID170558621
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1(c2nc3c(c(-c4ccccc4)n2)CCC3)CCC1
InChIInChI=1S/C18H20N2/c1-18(11-6-12-18)17-19-15-10-5-9-14(15)16(20-17)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeyRDQCDLUXEMOPEH-UHFFFAOYSA-N
XLogP4.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(1-methylcyclobutyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzoic acid
CID 175506350
2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 6426041
4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 17035762
3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
CID 146618854
4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118037090
4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine
CID 17035760
3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 82381467
2-(3,4-dimethylphenyl)-3-phenyl-5,6,7,8-tetrahydroquinoxaline
CID 4849021
4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 154465607
4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 12798312
2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline
CID 91608320
8-methyl-4-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135030288

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 170558621) is 2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CC1(c2nc3c(c(-c4ccccc4)n2)CCC3)CCC1.
What is the InChIKey of 2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is RDQCDLUXEMOPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-18(11-6-12-18)17-19-15-10-5-9-14(15)16(20-17)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3.
What are the key properties of 2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 264.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 170558621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).