5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine

C14H19ClF3N3 — CID 20640258

IUPAC5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(F)C(F)F)CC2)c1Cl
InChIInChI=1S/C14H19ClF3N3/c1-2-10-11(15)14(20-7-19-10)21-9-5-3-8(4-6-9)12(16)13(17)18/h7-9,12-13H,2-6H2,1H3,(H,19,20,21)
InChIKeyUOVYPFHHMFFZLC-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.27
Rot. Bonds5

About 5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine

5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine (PubChem CID 20640258) has the molecular formula C14H19ClF3N3 and a molecular weight of 321.77 g/mol. Its IUPAC name is 5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine
PubChem CID20640258
Molecular FormulaC14H19ClF3N3
Molecular Weight321.77 g/mol
Exact Mass321.12
IUPAC Name5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(F)C(F)F)CC2)c1Cl
InChIInChI=1S/C14H19ClF3N3/c1-2-10-11(15)14(20-7-19-10)21-9-5-3-8(4-6-9)12(16)13(17)18/h7-9,12-13H,2-6H2,1H3,(H,19,20,21)
InChIKeyUOVYPFHHMFFZLC-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 164637542
4-(cis-4-Tert-butylcyclohexylamino)-6-ethyl-5-fluoropyrimidine
CID 11185082
5-chloro-N-(9,9-difluorononan-3-yl)-6-ethylpyrimidin-4-amine
CID 15016163
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-trifluoromethylpyrimidine
CID 15334552
5-chloro-N-[8-(difluoromethylsulfanyl)octyl]-6-ethylpyrimidin-4-amine
CID 19892089
5-Chloro-6-ethyl-4-[cis-4-(1-hydroxy-2,2,2-trifluoroethyl)cyclohexylamino]pyrimidine
CID 21252680
5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine
CID 21252692
5-chloro-N-[4-(3,3-difluoropropyl)cyclohexyl]-6-ethylpyrimidin-4-amine
CID 21252708
5-Chloro-6-ethyl-4-[cis-4-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexylamino]pyrimidine
CID 21252716
4-(cis-4-tert-Butylcyclohexylamino)-6-methyl-5-(2-fluoroethyl)pyrimidine
CID 22097418
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-pentafluoroethylpyrimidine
CID 22097428
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-fluoromethylpyrimidine
CID 22097429

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine (CID 20640258) is 5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine is CCc1ncnc(NC2CCC(C(F)C(F)F)CC2)c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine?
The InChIKey is UOVYPFHHMFFZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3/c1-2-10-11(15)14(20-7-19-10)21-9-5-3-8(4-6-9)12(16)13(17)18/h7-9,12-13H,2-6H2,1H3,(H,19,20,21).
What are the key properties of 5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine?
5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine has a molecular weight of 321.77 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine is sourced from PubChem (CID 20640258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).