6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C12H9ClF3N3O — CID 62483557

IUPAC6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H9ClF3N3O/c1-7-17-10(13)6-11(18-7)19-8-2-4-9(5-3-8)20-12(14,15)16/h2-6H,1H3,(H,17,18,19)
InChIKeyWJFKBAQBHGCBIH-UHFFFAOYSA-N
MW303.67 g/mol
LogP4.08
Rot. Bonds3

About 6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 62483557) has the molecular formula C12H9ClF3N3O and a molecular weight of 303.67 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID62483557
Molecular FormulaC12H9ClF3N3O
Molecular Weight303.67 g/mol
Exact Mass303.04
IUPAC Name6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H9ClF3N3O/c1-7-17-10(13)6-11(18-7)19-8-2-4-9(5-3-8)20-12(14,15)16/h2-6H,1H3,(H,17,18,19)
InChIKeyWJFKBAQBHGCBIH-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 62483557) is 6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is Cc1nc(Cl)cc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is WJFKBAQBHGCBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O/c1-7-17-10(13)6-11(18-7)19-8-2-4-9(5-3-8)20-12(14,15)16/h2-6H,1H3,(H,17,18,19).
What are the key properties of 6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 303.67 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 62483557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).