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

C14H11ClF3N3 — CID 58075775

IUPAC2-chloro-N-methyl-7-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1CCC2c1c(F)cc(F)cc1F
InChIInChI=1S/C14H11ClF3N3/c1-19-13-8-3-2-7(12(8)20-14(15)21-13)11-9(17)4-6(16)5-10(11)18/h4-5,7H,2-3H2,1H3,(H,19,20,21)
InChIKeyJUXYBIGDNLDLEK-UHFFFAOYSA-N
MW313.71 g/mol
LogP3.67
Rot. Bonds2

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

2-chloro-N-methyl-7-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 58075775) has the molecular formula C14H11ClF3N3 and a molecular weight of 313.71 g/mol. Its IUPAC name is 2-chloro-N-methyl-7-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-7-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID58075775
Molecular FormulaC14H11ClF3N3
Molecular Weight313.71 g/mol
Exact Mass313.06
IUPAC Name2-chloro-N-methyl-7-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1CCC2c1c(F)cc(F)cc1F
InChIInChI=1S/C14H11ClF3N3/c1-19-13-8-3-2-7(12(8)20-14(15)21-13)11-9(17)4-6(16)5-10(11)18/h4-5,7H,2-3H2,1H3,(H,19,20,21)
InChIKeyJUXYBIGDNLDLEK-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
6-Ethyl-5-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 13926967
2-cyclopentyl-4-(4-fluoro-phenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 16062781
N-(4-fluorobenzyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 3242161
5-(3,4-Difluorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 44531191
9H-Indeno[2,1-d]pyrimidine-2,4-diamine
CID 485064
6-Ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10265764
[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl](2-phenylethyl)amine
CID 2984907
2-methyl-N-(3-(trifluoromethyl)phenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 23610053
5-(4-Fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 53345195
2-Chloro-6-methyl-N-(phenylmethyl)-4-pyrimidinamine
CID 62476085

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-7-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-7-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 58075775) is 2-chloro-N-methyl-7-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-7-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-7-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CNc1nc(Cl)nc2c1CCC2c1c(F)cc(F)cc1F.
What is the InChIKey of 2-chloro-N-methyl-7-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is JUXYBIGDNLDLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3/c1-19-13-8-3-2-7(12(8)20-14(15)21-13)11-9(17)4-6(16)5-10(11)18/h4-5,7H,2-3H2,1H3,(H,19,20,21).
What are the key properties of 2-chloro-N-methyl-7-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-chloro-N-methyl-7-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 313.71 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-7-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 58075775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).