N,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C11H16F3N3 — CID 62914744

IUPACN,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1nc(CC(F)(F)F)nc(C)c1C(C)C
InChIInChI=1S/C11H16F3N3/c1-6(2)9-7(3)16-8(5-11(12,13)14)17-10(9)15-4/h6H,5H2,1-4H3,(H,15,16,17)
InChIKeyKSLVRGCKGGAAOJ-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.05
Rot. Bonds3

About N,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

N,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 62914744) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID62914744
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1nc(CC(F)(F)F)nc(C)c1C(C)C
InChIInChI=1S/C11H16F3N3/c1-6(2)9-7(3)16-8(5-11(12,13)14)17-10(9)15-4/h6H,5H2,1-4H3,(H,15,16,17)
InChIKeyKSLVRGCKGGAAOJ-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 62914744) is N,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CNc1nc(CC(F)(F)F)nc(C)c1C(C)C.
What is the InChIKey of N,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is KSLVRGCKGGAAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-6(2)9-7(3)16-8(5-11(12,13)14)17-10(9)15-4/h6H,5H2,1-4H3,(H,15,16,17).
What are the key properties of N,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
N,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 247.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 62914744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).