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

C9H7ClF3N3 — CID 161303532

IUPAC2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1C(C(F)(F)F)=CC2
InChIInChI=1S/C9H7ClF3N3/c1-14-7-6-4(9(11,12)13)2-3-5(6)15-8(10)16-7/h2H,3H2,1H3,(H,14,15,16)
InChIKeySXXVPSTZKBEUGI-UHFFFAOYSA-N
MW249.62 g/mol
LogP2.67
Rot. Bonds1

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

2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 161303532) has the molecular formula C9H7ClF3N3 and a molecular weight of 249.62 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
PubChem CID161303532
Molecular FormulaC9H7ClF3N3
Molecular Weight249.62 g/mol
Exact Mass249.03
IUPAC Name2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1C(C(F)(F)F)=CC2
InChIInChI=1S/C9H7ClF3N3/c1-14-7-6-4(9(11,12)13)2-3-5(6)15-8(10)16-7/h2H,3H2,1H3,(H,14,15,16)
InChIKeySXXVPSTZKBEUGI-UHFFFAOYSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.62
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-7-(4-fluorophenyl)-N-methyl-5H-cyclopenta[d]pyrimidin-4-amine
CID 138983895
5-Ethenyl-4-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 89938654
4-Tert-butyl-5-ethenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 89994084
2-chloro-7-(3-fluorobuta-1,3-dien-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 123388130
5-Fluoro-7-methylidenecyclopenta[d]pyrimidin-4-amine
CID 126593794
4-N-methyl-6-[(2E,4Z)-1,1,1-trifluoro-2-(methylideneamino)hexa-2,4-dien-3-yl]pyrimidine-2,4-diamine
CID 146558065
2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 158315917
2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 161059148
2-chloro-N-ethyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 161593420
N-tert-butyl-2-(1,1-difluoroethyl)-6-methyl-5,6-dihydroquinazolin-4-amine
CID 169976897
2-Chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 175978883
6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 6475962

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine (CID 161303532) is 2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine is CNc1nc(Cl)nc2c1C(C(F)(F)F)=CC2.
What is the InChIKey of 2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is SXXVPSTZKBEUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3/c1-14-7-6-4(9(11,12)13)2-3-5(6)15-8(10)16-7/h2H,3H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine?
2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 249.62 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 161303532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).