4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H17F3N4 — CID 114564030

IUPAC4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC1CCCC(Nc2cc(C(F)(F)F)nc(N)n2)C1
InChIInChI=1S/C12H17F3N4/c1-7-3-2-4-8(5-7)17-10-6-9(12(13,14)15)18-11(16)19-10/h6-8H,2-5H2,1H3,(H3,16,17,18,19)
InChIKeySASUSYHENCFFSK-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.07
Rot. Bonds2

About 4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564030) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564030
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC1CCCC(Nc2cc(C(F)(F)F)nc(N)n2)C1
InChIInChI=1S/C12H17F3N4/c1-7-3-2-4-8(5-7)17-10-6-9(12(13,14)15)18-11(16)19-10/h6-8H,2-5H2,1H3,(H3,16,17,18,19)
InChIKeySASUSYHENCFFSK-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564030) is 4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CC1CCCC(Nc2cc(C(F)(F)F)nc(N)n2)C1.
What is the InChIKey of 4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is SASUSYHENCFFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-7-3-2-4-8(5-7)17-10-6-9(12(13,14)15)18-11(16)19-10/h6-8H,2-5H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 274.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).