4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine

C9H10ClF3N4 — CID 58504792

IUPAC4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCCC2C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N4/c10-6-4-7(16-8(14)15-6)17-3-1-2-5(17)9(11,12)13/h4-5H,1-3H2,(H2,14,15,16)
InChIKeyUZXSNLNCJDBINZ-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.24
Rot. Bonds1

About 4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine

4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 58504792) has the molecular formula C9H10ClF3N4 and a molecular weight of 266.65 g/mol. Its IUPAC name is 4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID58504792
Molecular FormulaC9H10ClF3N4
Molecular Weight266.65 g/mol
Exact Mass266.05
IUPAC Name4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCCC2C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N4/c10-6-4-7(16-8(14)15-6)17-3-1-2-5(17)9(11,12)13/h4-5H,1-3H2,(H2,14,15,16)
InChIKeyUZXSNLNCJDBINZ-UHFFFAOYSA-N
XLogP2.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-N~4~,N~4~-diethylpyrimidine-2,4-diamine
CID 1484287
4-Chloro-6-(pyrrolidin-1-yl)pyrimidin-2-amine
CID 1481938
4-Chloro-6-(pyrrolidin-1-yl)pyrimidine
CID 22309524
4-Chloro-2,6-di(pyrrolidin-1-yl)pyrimidine
CID 703699
4-Chloro-2-methyl-6-pyrrolidin-1-yl-pyrimidine
CID 40787016
6-chloro-N~4~,N~4~-dipropyl-2,4-pyrimidinediamine
CID 1484284
4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 90655030
3-(6-Chloropyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134789142
4-Chloro-6-piperidin-1-yl-pyrimidin-2-ylamine
CID 1484289
6-Chloro-2-piperidin-1-ylpyrimidin-4-amine
CID 44474396
6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 58336991
4-Chloro-2-(methylthio)-6-[(2S)-2-(trifluoromethyl)-1-pyrrolidinyl]pyrimidine
CID 58504425

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine (CID 58504792) is 4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine is Nc1nc(Cl)cc(N2CCCC2C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is UZXSNLNCJDBINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N4/c10-6-4-7(16-8(14)15-6)17-3-1-2-5(17)9(11,12)13/h4-5H,1-3H2,(H2,14,15,16).
What are the key properties of 4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 266.65 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 58504792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).