6-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C11H11F3N4S — CID 106771934

IUPAC6-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ccsc2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4S/c1-15-8-4-9(16-5-7-2-3-19-6-7)18-10(17-8)11(12,13)14/h2-4,6H,5H2,1H3,(H2,15,16,17,18)
InChIKeyIDPMDGDWHXXBTQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.21
Rot. Bonds4

About 6-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771934) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 6-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771934
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC Name6-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ccsc2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4S/c1-15-8-4-9(16-5-7-2-3-19-6-7)18-10(17-8)11(12,13)14/h2-4,6H,5H2,1H3,(H2,15,16,17,18)
InChIKeyIDPMDGDWHXXBTQ-UHFFFAOYSA-N
XLogP3.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.21
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-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771934) is 6-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NCc2ccsc2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is IDPMDGDWHXXBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-15-8-4-9(16-5-7-2-3-19-6-7)18-10(17-8)11(12,13)14/h2-4,6H,5H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 288.30 g/mol, XLogP of 3.21, 4 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-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).