2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine

C12H11ClF3N3 — CID 158315917

IUPAC2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
SMILESCC1(Nc2nc(Cl)nc3c2C(C(F)(F)F)=CC3)CC1
InChIInChI=1S/C12H11ClF3N3/c1-11(4-5-11)19-9-8-6(12(14,15)16)2-3-7(8)17-10(13)18-9/h2H,3-5H2,1H3,(H,17,18,19)
InChIKeyGOGHOBMZXZGBAU-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.60
Rot. Bonds2

About 2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine

2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 158315917) has the molecular formula C12H11ClF3N3 and a molecular weight of 289.69 g/mol. Its IUPAC name is 2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
PubChem CID158315917
Molecular FormulaC12H11ClF3N3
Molecular Weight289.69 g/mol
Exact Mass289.06
IUPAC Name2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
SMILESCC1(Nc2nc(Cl)nc3c2C(C(F)(F)F)=CC3)CC1
InChIInChI=1S/C12H11ClF3N3/c1-11(4-5-11)19-9-8-6(12(14,15)16)2-3-7(8)17-10(13)18-9/h2H,3-5H2,1H3,(H,17,18,19)
InChIKeyGOGHOBMZXZGBAU-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline
CID 71220356
5-Ethenyl-4-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 89938654
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
N-tert-butyl-6-cyclohexa-1,3-dien-1-yl-7-methyl-2-(trifluoromethyl)-7,8-dihydroquinazolin-4-amine
CID 169976921
2-Chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 175978883
2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 161303532
N-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine
CID 162585674
5-methyl-7H-cyclopenta[d]pyrimidin-4-amine
CID 23594666
4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine
CID 58952946
2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine
CID 59073954

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine (CID 158315917) is 2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine is CC1(Nc2nc(Cl)nc3c2C(C(F)(F)F)=CC3)CC1.
What is the InChIKey of 2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is GOGHOBMZXZGBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3/c1-11(4-5-11)19-9-8-6(12(14,15)16)2-3-7(8)17-10(13)18-9/h2H,3-5H2,1H3,(H,17,18,19).
What are the key properties of 2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine?
2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 289.69 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 158315917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).