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

C11H9ClF3N3 — CID 161059148

IUPAC2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
SMILESFC(F)(F)C1=CCc2nc(Cl)nc(NC3CC3)c21
InChIInChI=1S/C11H9ClF3N3/c12-10-17-7-4-3-6(11(13,14)15)8(7)9(18-10)16-5-1-2-5/h3,5H,1-2,4H2,(H,16,17,18)
InChIKeyUDDWTBMDXHVPFB-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.21
Rot. Bonds2

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

2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 161059148) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
PubChem CID161059148
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
SMILESFC(F)(F)C1=CCc2nc(Cl)nc(NC3CC3)c21
InChIInChI=1S/C11H9ClF3N3/c12-10-17-7-4-3-6(11(13,14)15)8(7)9(18-10)16-5-1-2-5/h3,5H,1-2,4H2,(H,16,17,18)
InChIKeyUDDWTBMDXHVPFB-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118905557
2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine
CID 139300338
5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine
CID 149395907
2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 158315917
2-chloro-N-ethyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 161593420
N-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55045431
N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 62744220
3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 62745094
N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine
CID 65293403
N-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine
CID 79219627
3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 79959320
N-[3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 79959524

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine (CID 161059148) is 2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine is FC(F)(F)C1=CCc2nc(Cl)nc(NC3CC3)c21.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is UDDWTBMDXHVPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c12-10-17-7-4-3-6(11(13,14)15)8(7)9(18-10)16-5-1-2-5/h3,5H,1-2,4H2,(H,16,17,18).
What are the key properties of 2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine?
2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 275.66 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 161059148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).