4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C9H11F3N4 — CID 114563830

IUPAC4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4/c1-13-8-15-6(9(10,11)12)4-7(16-8)14-5-2-3-5/h4-5H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyAJKCSAYIANDOID-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.11
Rot. Bonds3

About 4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563830) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563830
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4/c1-13-8-15-6(9(10,11)12)4-7(16-8)14-5-2-3-5/h4-5H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyAJKCSAYIANDOID-UHFFFAOYSA-N
XLogP2.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114566037
2-N-methyl-4-N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565796
4-N-(3,5-dimethylcyclohexyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565264
2-N-methyl-4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564031
4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563890
2-N-methyl-4-N-(thian-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565933
4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563838
4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80769558
2-N,4-N-bis(thiolan-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 75422707
4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564199
3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 114565360
2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80772502

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563830) is 4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(NC2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is AJKCSAYIANDOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c1-13-8-15-6(9(10,11)12)4-7(16-8)14-5-2-3-5/h4-5H,2-3H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 232.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).