6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C14H23F3N4 — CID 106771417

IUPAC6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C(C)CC(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C14H23F3N4/c1-6-18-11-8-12(20-13(19-11)14(15,16)17)21(5)10(4)7-9(2)3/h8-10H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyOCJKMMHLOBOEQR-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.80
Rot. Bonds6

About 6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771417) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771417
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C(C)CC(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C14H23F3N4/c1-6-18-11-8-12(20-13(19-11)14(15,16)17)21(5)10(4)7-9(2)3/h8-10H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyOCJKMMHLOBOEQR-UHFFFAOYSA-N
XLogP3.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771417) is 6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCNc1cc(N(C)C(C)CC(C)C)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is OCJKMMHLOBOEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-6-18-11-8-12(20-13(19-11)14(15,16)17)21(5)10(4)7-9(2)3/h8-10H,6-7H2,1-5H3,(H,18,19,20).
What are the key properties of 6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 304.36 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).