2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H12ClF2N3 — CID 58075560

IUPAC2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1CCC2c1cc(F)cc(F)c1
InChIInChI=1S/C14H12ClF2N3/c1-18-13-11-3-2-10(12(11)19-14(15)20-13)7-4-8(16)6-9(17)5-7/h4-6,10H,2-3H2,1H3,(H,18,19,20)
InChIKeyJPYGELIPIILUCI-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.53
Rot. Bonds2

About 2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 58075560) has the molecular formula C14H12ClF2N3 and a molecular weight of 295.72 g/mol. Its IUPAC name is 2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID58075560
Molecular FormulaC14H12ClF2N3
Molecular Weight295.72 g/mol
Exact Mass295.07
IUPAC Name2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1CCC2c1cc(F)cc(F)c1
InChIInChI=1S/C14H12ClF2N3/c1-18-13-11-3-2-10(12(11)19-14(15)20-13)7-4-8(16)6-9(17)5-7/h4-6,10H,2-3H2,1H3,(H,18,19,20)
InChIKeyJPYGELIPIILUCI-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 58075560) is 2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CNc1nc(Cl)nc2c1CCC2c1cc(F)cc(F)c1.
What is the InChIKey of 2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is JPYGELIPIILUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N3/c1-18-13-11-3-2-10(12(11)19-14(15)20-13)7-4-8(16)6-9(17)5-7/h4-6,10H,2-3H2,1H3,(H,18,19,20).
What are the key properties of 2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 295.72 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(3,5-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 58075560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).