N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine

C14H22F3N3 — CID 62744426

IUPACN-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1nc(CC(F)(F)F)nc(C)c1CCNC(C)(C)C
InChIInChI=1S/C14H22F3N3/c1-9-11(6-7-18-13(3,4)5)10(2)20-12(19-9)8-14(15,16)17/h18H,6-8H2,1-5H3
InChIKeyUNQBHTIKHFYQQJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.13
Rot. Bonds4

About N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine

N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 62744426) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
PubChem CID62744426
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC NameN-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1nc(CC(F)(F)F)nc(C)c1CCNC(C)(C)C
InChIInChI=1S/C14H22F3N3/c1-9-11(6-7-18-13(3,4)5)10(2)20-12(19-9)8-14(15,16)17/h18H,6-8H2,1-5H3
InChIKeyUNQBHTIKHFYQQJ-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine (CID 62744426) is N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine is Cc1nc(CC(F)(F)F)nc(C)c1CCNC(C)(C)C.
What is the InChIKey of N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is UNQBHTIKHFYQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-9-11(6-7-18-13(3,4)5)10(2)20-12(19-9)8-14(15,16)17/h18H,6-8H2,1-5H3.
What are the key properties of N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 289.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62744426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).