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

C12H15F2N3 — CID 170573194

IUPAC2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC1(F)CCN(c2ncc3c(n2)CCC3)CC1
InChIInChI=1S/C12H15F2N3/c13-12(14)4-6-17(7-5-12)11-15-8-9-2-1-3-10(9)16-11/h8H,1-7H2
InChIKeyLCNCPRDURCJRRL-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.20
Rot. Bonds1

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

2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 170573194) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID170573194
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC1(F)CCN(c2ncc3c(n2)CCC3)CC1
InChIInChI=1S/C12H15F2N3/c13-12(14)4-6-17(7-5-12)11-15-8-9-2-1-3-10(9)16-11/h8H,1-7H2
InChIKeyLCNCPRDURCJRRL-UHFFFAOYSA-N
XLogP2.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 166704442
2-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 105473150
[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol
CID 160884465
2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine
CID 86263335
2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 4873914
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)cyclopropan-1-amine;dihydrochloride
CID 170918429
4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine
CID 117100843
5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine
CID 118468930
[(7S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 67173533
2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 176625965
2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine
CID 130704965
[5-methyl-2-(triazol-2-yl)phenyl]-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)-1,4-diazepan-1-yl]methanone
CID 143688626

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 170573194) is 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is FC1(F)CCN(c2ncc3c(n2)CCC3)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is LCNCPRDURCJRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3/c13-12(14)4-6-17(7-5-12)11-15-8-9-2-1-3-10(9)16-11/h8H,1-7H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 239.27 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 170573194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).