2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine

C13H17F3N4 — CID 106219539

IUPAC2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(NC2(C(F)(F)F)CC2)c1C
InChIInChI=1S/C13H17F3N4/c1-7-9(17-2)18-11(8-3-4-8)19-10(7)20-12(5-6-12)13(14,15)16/h8H,3-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyVEPIVMPHPRUGEK-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.21
Rot. Bonds4

About 2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine

2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine (PubChem CID 106219539) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
PubChem CID106219539
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(NC2(C(F)(F)F)CC2)c1C
InChIInChI=1S/C13H17F3N4/c1-7-9(17-2)18-11(8-3-4-8)19-10(7)20-12(5-6-12)13(14,15)16/h8H,3-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyVEPIVMPHPRUGEK-UHFFFAOYSA-N
XLogP3.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-N,5-dimethyl-4-N-(1-methylcyclopentyl)pyrimidine-4,6-diamine
CID 80991566
4-N-cyclohexyl-2-cyclopropyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980958
2-cyclopropyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988574
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992851
2-cyclopropyl-4-N-(3-methoxypropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980570
2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine
CID 80988065
ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80993671
2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988724
4-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80992975
6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine
CID 106214696
2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80985427
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098766

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine (CID 106219539) is 2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine is CNc1nc(C2CC2)nc(NC2(C(F)(F)F)CC2)c1C.
What is the InChIKey of 2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The InChIKey is VEPIVMPHPRUGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-7-9(17-2)18-11(8-3-4-8)19-10(7)20-12(5-6-12)13(14,15)16/h8H,3-6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine has a molecular weight of 286.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106219539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).