4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H13F3N6 — CID 106106748

IUPAC4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCn1ccc(CCNc2cc(C(F)(F)F)nc(N)n2)n1
InChIInChI=1S/C11H13F3N6/c1-20-5-3-7(19-20)2-4-16-9-6-8(11(12,13)14)17-10(15)18-9/h3,5-6H,2,4H2,1H3,(H3,15,16,17,18)
InChIKeyUOIAOTOPDNJQKG-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.47
Rot. Bonds4

About 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 106106748) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID106106748
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCn1ccc(CCNc2cc(C(F)(F)F)nc(N)n2)n1
InChIInChI=1S/C11H13F3N6/c1-20-5-3-7(19-20)2-4-16-9-6-8(11(12,13)14)17-10(15)18-9/h3,5-6H,2,4H2,1H3,(H3,15,16,17,18)
InChIKeyUOIAOTOPDNJQKG-UHFFFAOYSA-N
XLogP1.47
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-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

2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106755
4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563804
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562824
4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 106106836
2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2,6-diamine
CID 104626530
6-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,6-diamine
CID 106106717
4-N-[2-(3-fluorophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564151
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106106929
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 106106888
4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772704
6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106434004
2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106106856

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 106106748) is 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is Cn1ccc(CCNc2cc(C(F)(F)F)nc(N)n2)n1.
What is the InChIKey of 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is UOIAOTOPDNJQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-20-5-3-7(19-20)2-4-16-9-6-8(11(12,13)14)17-10(15)18-9/h3,5-6H,2,4H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 286.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 106106748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).