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

C12H18F3N3 — CID 62745812

IUPAC2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylethanamine
SMILESCCNCCc1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C12H18F3N3/c1-4-16-6-5-10-8(2)17-11(18-9(10)3)7-12(13,14)15/h16H,4-7H2,1-3H3
InChIKeyRITIMPWGRRWTTD-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.35
Rot. Bonds5

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

2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylethanamine (PubChem CID 62745812) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylethanamine
PubChem CID62745812
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylethanamine
SMILESCCNCCc1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C12H18F3N3/c1-4-16-6-5-10-8(2)17-11(18-9(10)3)7-12(13,14)15/h16H,4-7H2,1-3H3
InChIKeyRITIMPWGRRWTTD-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-ethylethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylethanamine (CID 62745812) is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylethanamine is CCNCCc1c(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-ethylethanamine?
The InChIKey is RITIMPWGRRWTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-4-16-6-5-10-8(2)17-11(18-9(10)3)7-12(13,14)15/h16H,4-7H2,1-3H3.
What are the key properties of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylethanamine?
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylethanamine has a molecular weight of 261.29 g/mol, XLogP of 2.35, 5 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-ethylethanamine is sourced from PubChem (CID 62745812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).