2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C15H14ClFN2 — CID 142948431

IUPAC2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(-c2cc(Cl)ccc2F)nc2c1C(C)CC2
InChIInChI=1S/C15H14ClFN2/c1-8-3-6-13-14(8)9(2)18-15(19-13)11-7-10(16)4-5-12(11)17/h4-5,7-8H,3,6H2,1-2H3
InChIKeyZJXSTMNYBMKUNW-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.29
Rot. Bonds1

About 2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 142948431) has the molecular formula C15H14ClFN2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID142948431
Molecular FormulaC15H14ClFN2
Molecular Weight276.74 g/mol
Exact Mass276.08
IUPAC Name2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(-c2cc(Cl)ccc2F)nc2c1C(C)CC2
InChIInChI=1S/C15H14ClFN2/c1-8-3-6-13-14(8)9(2)18-15(19-13)11-7-10(16)4-5-12(11)17/h4-5,7-8H,3,6H2,1-2H3
InChIKeyZJXSTMNYBMKUNW-UHFFFAOYSA-N
XLogP4.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 21104316
2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 22943707
2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine
CID 21104307
2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66160468
2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312236
2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 142948403
4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 89343072
2-(5-chloro-2-fluorophenyl)-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine
CID 138662805
2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106820049
2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 114076281
5-bromo-2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine
CID 66303833
(6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 167782187

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 142948431) is 2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc(-c2cc(Cl)ccc2F)nc2c1C(C)CC2.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is ZJXSTMNYBMKUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2/c1-8-3-6-13-14(8)9(2)18-15(19-13)11-7-10(16)4-5-12(11)17/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 276.74 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 142948431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).