2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C11H12ClF2N3 — CID 169221303

IUPAC2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESF[C@H]1CN(c2nc(Cl)nc3c2CCC3)C[C@@H]1F
InChIInChI=1S/C11H12ClF2N3/c12-11-15-9-3-1-2-6(9)10(16-11)17-4-7(13)8(14)5-17/h7-8H,1-5H2/t7-,8-/m0/s1
InChIKeyALBBXONDNSUSJQ-YUMQZZPRSA-N
MW259.69 g/mol
LogP2.11
Rot. Bonds1

About 2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 169221303) has the molecular formula C11H12ClF2N3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID169221303
Molecular FormulaC11H12ClF2N3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESF[C@H]1CN(c2nc(Cl)nc3c2CCC3)C[C@@H]1F
InChIInChI=1S/C11H12ClF2N3/c12-11-15-9-3-1-2-6(9)10(16-11)17-4-7(13)8(14)5-17/h7-8H,1-5H2/t7-,8-/m0/s1
InChIKeyALBBXONDNSUSJQ-YUMQZZPRSA-N
XLogP2.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine with MolForge

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Related Compounds

6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine hydrochloride
CID 6603243
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 59777309
26979-06-6
CID 232191
6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 230743
2-pyrrolidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 1872644
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 127050019
2-chloro-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
CID 10241226
6,7-Dihydro-2,4-dimethyl-5H-cyclopentapyrimidine
CID 13111292
5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-pyrimidin-2-amine
CID 5276767
4-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 177838511
N-[3-(Dimethylamino)propyl]-2-methyl-5H,6H,7H-cyclopenta[D]pyrimidin-4-amine
CID 16876757
4-(1-azepanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 53192865

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 169221303) is 2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is F[C@H]1CN(c2nc(Cl)nc3c2CCC3)C[C@@H]1F.
What is the InChIKey of 2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is ALBBXONDNSUSJQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H12ClF2N3/c12-11-15-9-3-1-2-6(9)10(16-11)17-4-7(13)8(14)5-17/h7-8H,1-5H2/t7-,8-/m0/s1.
What are the key properties of 2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 259.69 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 169221303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).