N,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine

C14H14F3N3S — CID 3825787

IUPACN,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ccc(Sc2cc(C(F)(F)F)nc(N(C)C)n2)cc1
InChIInChI=1S/C14H14F3N3S/c1-9-4-6-10(7-5-9)21-12-8-11(14(15,16)17)18-13(19-12)20(2)3/h4-8H,1-3H3
InChIKeyZZPXPKOFCBIVCN-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.02
Rot. Bonds3

About N,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine

N,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 3825787) has the molecular formula C14H14F3N3S and a molecular weight of 313.35 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID3825787
Molecular FormulaC14H14F3N3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC NameN,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ccc(Sc2cc(C(F)(F)F)nc(N(C)C)n2)cc1
InChIInChI=1S/C14H14F3N3S/c1-9-4-6-10(7-5-9)21-12-8-11(14(15,16)17)18-13(19-12)20(2)3/h4-8H,1-3H3
InChIKeyZZPXPKOFCBIVCN-UHFFFAOYSA-N
XLogP4.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 3825787) is N,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine is Cc1ccc(Sc2cc(C(F)(F)F)nc(N(C)C)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZZPXPKOFCBIVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3S/c1-9-4-6-10(7-5-9)21-12-8-11(14(15,16)17)18-13(19-12)20(2)3/h4-8H,1-3H3.
What are the key properties of N,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
N,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 313.35 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 3825787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).