4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C13H19F3N4 — CID 80815199

IUPAC4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(CC(F)(F)F)C2CC2)c1C
InChIInChI=1S/C13H19F3N4/c1-4-17-11-8(2)12(19-9(3)18-11)20(10-5-6-10)7-13(14,15)16/h10H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyFVGZGPHXCOHPOH-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.06
Rot. Bonds5

About 4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80815199) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80815199
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(CC(F)(F)F)C2CC2)c1C
InChIInChI=1S/C13H19F3N4/c1-4-17-11-8(2)12(19-9(3)18-11)20(10-5-6-10)7-13(14,15)16/h10H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyFVGZGPHXCOHPOH-UHFFFAOYSA-N
XLogP3.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

Dicyclanil
CID 3081364
6-(1-azepanyl)-N,2-dicyclopropyl-5-methyl-4-pyrimidinamine
CID 10125445
N,2-dicyclopropyl-5-methyl-6-(4-(trifluoromethyl)piperidin-1-yl)pyrimidin-4-amine
CID 44409462
N,2-dicyclopropyl-6-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 44409463
N,2-dicyclopropyl-5-methyl-6-(piperidin-1-yl)pyrimidin-4-amine
CID 44409558
N,2-dicyclopropyl-5-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 44409755
N4-cyclohexyl-N6,2-dicyclopropyl-5-methyl-4,6-pyrimidinediamine
CID 44409760
6-(azepan-1-yl)-N-cyclopropyl-2-isopropyl-5-methylpyrimidin-4-amine
CID 44409956
6-(azepan-1-yl)-N-cyclobutyl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 44409751
6-(azepan-1-yl)-2-cyclopropyl-5-methyl-N-[(1S,2S)-2-methylcyclopropyl]pyrimidin-4-amine
CID 44409945
6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 80971037
N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine
CID 3879659

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80815199) is 4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCNc1nc(C)nc(N(CC(F)(F)F)C2CC2)c1C.
What is the InChIKey of 4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is FVGZGPHXCOHPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-4-17-11-8(2)12(19-9(3)18-11)20(10-5-6-10)7-13(14,15)16/h10H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 288.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-ethyl-2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80815199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).