N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C15H16F3N3 — CID 62190938

IUPACN-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H16F3N3/c1-9(2)12-8-13(19-3)21-14(20-12)10-5-4-6-11(7-10)15(16,17)18/h4-9H,1-3H3,(H,19,20,21)
InChIKeyVFDMWRSQBOJFTO-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.33
Rot. Bonds3

About N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 62190938) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID62190938
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H16F3N3/c1-9(2)12-8-13(19-3)21-14(20-12)10-5-4-6-11(7-10)15(16,17)18/h4-9H,1-3H3,(H,19,20,21)
InChIKeyVFDMWRSQBOJFTO-UHFFFAOYSA-N
XLogP4.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 62190938) is N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is CNc1cc(C(C)C)nc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is VFDMWRSQBOJFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-9(2)12-8-13(19-3)21-14(20-12)10-5-4-6-11(7-10)15(16,17)18/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 295.31 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 62190938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).