2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylethanamine

C11H16F3N3 — CID 62744054

IUPAC2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C11H16F3N3/c1-7-9(4-5-15-3)8(2)17-10(16-7)6-11(12,13)14/h15H,4-6H2,1-3H3
InChIKeyWCWWMKOPENDUGK-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.96
Rot. Bonds4

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

2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylethanamine (PubChem CID 62744054) 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]-N-methylethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylethanamine
PubChem CID62744054
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C11H16F3N3/c1-7-9(4-5-15-3)8(2)17-10(16-7)6-11(12,13)14/h15H,4-6H2,1-3H3
InChIKeyWCWWMKOPENDUGK-UHFFFAOYSA-N
XLogP1.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-6-methyl-5-pentylpyrimidine-2,4-diamine
CID 135271007
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
4-N-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 137381348
4-N-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 145979503
5-(4-aminobutyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 155543587
5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 135260422
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 135271011
N-(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 92430508
4,5-Dimethyl-2,6-bis(trifluoromethyl)pyrimidine
CID 134855968

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylethanamine (CID 62744054) is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylethanamine is CNCCc1c(C)nc(CC(F)(F)F)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylethanamine?
The InChIKey is WCWWMKOPENDUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7-9(4-5-15-3)8(2)17-10(16-7)6-11(12,13)14/h15H,4-6H2,1-3H3.
What are the key properties of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylethanamine?
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylethanamine has a molecular weight of 247.26 g/mol, XLogP of 1.96, 4 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]-N-methylethanamine is sourced from PubChem (CID 62744054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).