4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine

C12H16F3N3O2S — CID 154735877

IUPAC4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(NC(C)C2(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H16F3N3O2S/c1-7-6-9(12(13,14)15)18-10(16-7)17-8(2)11(4-5-11)21(3,19)20/h6,8H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyPBZAORWDCZSTKY-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.18
Rot. Bonds4

About 4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine

4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 154735877) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID154735877
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(NC(C)C2(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H16F3N3O2S/c1-7-6-9(12(13,14)15)18-10(16-7)17-8(2)11(4-5-11)21(3,19)20/h6,8H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyPBZAORWDCZSTKY-UHFFFAOYSA-N
XLogP2.18
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine (CID 154735877) is 4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(C(F)(F)F)nc(NC(C)C2(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is PBZAORWDCZSTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c1-7-6-9(12(13,14)15)18-10(16-7)17-8(2)11(4-5-11)21(3,19)20/h6,8H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of 4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine?
4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 323.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 154735877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).