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

C11H15F3N4S — CID 106773169

IUPAC6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC2CCSCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4S/c1-15-8-6-9(16-7-2-4-19-5-3-7)18-10(17-8)11(12,13)14/h6-7H,2-5H2,1H3,(H2,15,16,17,18)
InChIKeyVCJTYRLZLHGMQV-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.84
Rot. Bonds3

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

6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106773169) has the molecular formula C11H15F3N4S and a molecular weight of 292.33 g/mol. Its IUPAC name is 6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106773169
Molecular FormulaC11H15F3N4S
Molecular Weight292.33 g/mol
Exact Mass292.10
IUPAC Name6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC2CCSCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4S/c1-15-8-6-9(16-7-2-4-19-5-3-7)18-10(17-8)11(12,13)14/h6-7H,2-5H2,1H3,(H2,15,16,17,18)
InChIKeyVCJTYRLZLHGMQV-UHFFFAOYSA-N
XLogP2.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106773169) is 6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NC2CCSCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is VCJTYRLZLHGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4S/c1-15-8-6-9(16-7-2-4-19-5-3-7)18-10(17-8)11(12,13)14/h6-7H,2-5H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 292.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106773169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).