6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C10H13ClF3N3 — CID 55079734

IUPAC6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C10H13ClF3N3/c1-6(2)17(5-10(12,13)14)9-4-8(11)15-7(3)16-9/h4,6H,5H2,1-3H3
InChIKeyUNNQNYLLIFXCRE-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.22
Rot. Bonds3

About 6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 55079734) has the molecular formula C10H13ClF3N3 and a molecular weight of 267.68 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID55079734
Molecular FormulaC10H13ClF3N3
Molecular Weight267.68 g/mol
Exact Mass267.08
IUPAC Name6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C10H13ClF3N3/c1-6(2)17(5-10(12,13)14)9-4-8(11)15-7(3)16-9/h4,6H,5H2,1-3H3
InChIKeyUNNQNYLLIFXCRE-UHFFFAOYSA-N
XLogP3.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 55079734) is 6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is Cc1nc(Cl)cc(N(CC(F)(F)F)C(C)C)n1.
What is the InChIKey of 6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is UNNQNYLLIFXCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3/c1-6(2)17(5-10(12,13)14)9-4-8(11)15-7(3)16-9/h4,6H,5H2,1-3H3.
What are the key properties of 6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 267.68 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 55079734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).