2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine

C11H16F3N3 — CID 62744207

IUPAC2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine
SMILESCc1nc(CC(F)(F)F)nc(C)c1C(C)CN
InChIInChI=1S/C11H16F3N3/c1-6(5-15)10-7(2)16-9(17-8(10)3)4-11(12,13)14/h6H,4-5,15H2,1-3H3
InChIKeyMQAQYDMSCWNVNH-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.26
Rot. Bonds3

About 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine

2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine (PubChem CID 62744207) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine
PubChem CID62744207
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine
SMILESCc1nc(CC(F)(F)F)nc(C)c1C(C)CN
InChIInChI=1S/C11H16F3N3/c1-6(5-15)10-7(2)16-9(17-8(10)3)4-11(12,13)14/h6H,4-5,15H2,1-3H3
InChIKeyMQAQYDMSCWNVNH-UHFFFAOYSA-N
XLogP2.26
TPSA51.80 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine?
The IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine (CID 62744207) is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine is Cc1nc(CC(F)(F)F)nc(C)c1C(C)CN.
What is the InChIKey of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine?
The InChIKey is MQAQYDMSCWNVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-6(5-15)10-7(2)16-9(17-8(10)3)4-11(12,13)14/h6H,4-5,15H2,1-3H3.
What are the key properties of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine?
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 62744207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).