4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H17F3N4 — CID 106771739

IUPAC4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4/c1-2-6-16-9-7-10(17-8-4-3-5-8)19-11(18-9)12(13,14)15/h7-8H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyQHHPPNISJBRFAV-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.28
Rot. Bonds5

About 4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771739) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771739
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4/c1-2-6-16-9-7-10(17-8-4-3-5-8)19-11(18-9)12(13,14)15/h7-8H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyQHHPPNISJBRFAV-UHFFFAOYSA-N
XLogP3.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106198352
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 106770397
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80958635
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769168
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771739) is 4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCCNc1cc(NC2CCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is QHHPPNISJBRFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-2-6-16-9-7-10(17-8-4-3-5-8)19-11(18-9)12(13,14)15/h7-8H,2-6H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 274.29 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).