4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H18F3N5 — CID 114564466

IUPAC4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN1CCCC(Nc2cc(C(F)(F)F)nc(N)n2)C1
InChIInChI=1S/C12H18F3N5/c1-2-20-5-3-4-8(7-20)17-10-6-9(12(13,14)15)18-11(16)19-10/h6,8H,2-5,7H2,1H3,(H3,16,17,18,19)
InChIKeyDFWYWDNZCHUUCM-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.97
Rot. Bonds3

About 4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564466) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564466
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC Name4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN1CCCC(Nc2cc(C(F)(F)F)nc(N)n2)C1
InChIInChI=1S/C12H18F3N5/c1-2-20-5-3-4-8(7-20)17-10-6-9(12(13,14)15)18-11(16)19-10/h6,8H,2-5,7H2,1H3,(H3,16,17,18,19)
InChIKeyDFWYWDNZCHUUCM-UHFFFAOYSA-N
XLogP1.97
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717902
4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564030
N-(1-ethylpiperidin-3-yl)-5-fluoropyridin-2-amine
CID 61313341
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064
5-chloro-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 61170004
6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80941716
N-(1-ethylpiperidin-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475474
N-(1-ethylpiperidin-3-yl)-4-methylquinolin-2-amine
CID 122561309
6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961869
6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine
CID 95144373
6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 66740280
2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80800686

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564466) is 4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCN1CCCC(Nc2cc(C(F)(F)F)nc(N)n2)C1.
What is the InChIKey of 4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is DFWYWDNZCHUUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-2-20-5-3-4-8(7-20)17-10-6-9(12(13,14)15)18-11(16)19-10/h6,8H,2-5,7H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 289.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).