2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine

C14H11ClFN3 — CID 138983895

IUPAC2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1CC=C2c1ccc(F)cc1
InChIInChI=1S/C14H11ClFN3/c1-17-13-11-7-6-10(12(11)18-14(15)19-13)8-2-4-9(16)5-3-8/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyUTIIGRVQPGBPES-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.30
Rot. Bonds2

About 2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine

2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 138983895) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID138983895
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1CC=C2c1ccc(F)cc1
InChIInChI=1S/C14H11ClFN3/c1-17-13-11-7-6-10(12(11)18-14(15)19-13)8-2-4-9(16)5-3-8/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyUTIIGRVQPGBPES-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimethamine
CID 4993
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 13926968
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine (CID 138983895) is 2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine is CNc1nc(Cl)nc2c1CC=C2c1ccc(F)cc1.
What is the InChIKey of 2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is UTIIGRVQPGBPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-17-13-11-7-6-10(12(11)18-14(15)19-13)8-2-4-9(16)5-3-8/h2-6H,7H2,1H3,(H,17,18,19).
What are the key properties of 2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine?
2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 275.71 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 138983895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).