4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

C11H15F3N6 — CID 151478517

IUPAC4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)N=C(Nc2ccnn2C)NC=C1C(F)(F)F
InChIInChI=1S/C11H15F3N6/c1-3-10(15)7(11(12,13)14)6-16-9(19-10)18-8-4-5-17-20(8)2/h4-6H,3,15H2,1-2H3,(H2,16,18,19)
InChIKeyPLYXZXMRTKFTKM-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.30
Rot. Bonds2

About 4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (PubChem CID 151478517) has the molecular formula C11H15F3N6 and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
PubChem CID151478517
Molecular FormulaC11H15F3N6
Molecular Weight288.28 g/mol
Exact Mass288.13
IUPAC Name4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)N=C(Nc2ccnn2C)NC=C1C(F)(F)F
InChIInChI=1S/C11H15F3N6/c1-3-10(15)7(11(12,13)14)6-16-9(19-10)18-8-4-5-17-20(8)2/h4-6H,3,15H2,1-2H3,(H2,16,18,19)
InChIKeyPLYXZXMRTKFTKM-UHFFFAOYSA-N
XLogP1.30
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
CID 75483532
1-[1-(4-Cyanobutan-2-yl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20451294
5-[3-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazol-1-yl]pentanimidamide
CID 21279840
N'-cyano-4-[3-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazol-1-yl]butanimidamide
CID 21279849
3-[2-(2,2,2-Trifluoroethyl)guanidino]-1-(3-aminopropyl)pyrazole
CID 21298766
3-[2-(2,2,2-Trifluoroethyl)guanidino]-1-(2-cyanoethyl)pyrazole
CID 21298879
1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 79778362
1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine
CID 79778959
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 138648672
N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 138648708
1-(2-Methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine
CID 141363157

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (CID 151478517) is 4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is CCC1(N)N=C(Nc2ccnn2C)NC=C1C(F)(F)F.
What is the InChIKey of 4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is PLYXZXMRTKFTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N6/c1-3-10(15)7(11(12,13)14)6-16-9(19-10)18-8-4-5-17-20(8)2/h4-6H,3,15H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 288.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 151478517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).