6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H14F3N5 — CID 106773486

IUPAC6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(-n2cnc(C)c2C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5/c1-4-16-9-5-10(19-11(18-9)12(13,14)15)20-6-17-7(2)8(20)3/h5-6H,4H2,1-3H3,(H,16,18,19)
InChIKeyOUHJZMLRRUCQQK-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.73
Rot. Bonds3

About 6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773486) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773486
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(-n2cnc(C)c2C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5/c1-4-16-9-5-10(19-11(18-9)12(13,14)15)20-6-17-7(2)8(20)3/h5-6H,4H2,1-3H3,(H,16,18,19)
InChIKeyOUHJZMLRRUCQQK-UHFFFAOYSA-N
XLogP2.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-3-[6-[4-(ethylaminomethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 132520935
1-[6-[4-[(Dimethylamino)methyl]imidazol-1-yl]pyrimidin-4-yl]-3-ethylthiourea
CID 132520938
1-[6-[4-(Diethylaminomethyl)imidazol-1-yl]pyrimidin-4-yl]-3-ethylthiourea
CID 132520939
1-Ethyl-3-[6-[4-(methylaminomethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 132520940
1-[6-[4-[(Dipropylamino)methyl]imidazol-1-yl]pyrimidin-4-yl]-3-ethylthiourea
CID 132520941
1-Ethyl-3-[6-[4-(trifluoromethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 134135736
1-Ethyl-3-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]thiourea
CID 134138382
1-Ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea
CID 134139840
1-Ethyl-3-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)thiourea
CID 134151972
1-[6-[4-[(Dipropylamino)methyl]imidazol-1-yl]pyrimidin-4-yl]-3-ethylthiourea;hydrochloride
CID 134152473
4-N,4-N-dimethyl-6-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrimidine-4,6-diamine
CID 97467288
N-ethyl-6-(1H-imidazol-1-yl)pyrimidin-4-amine
CID 53015201

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773486) is 6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(-n2cnc(C)c2C)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OUHJZMLRRUCQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-4-16-9-5-10(19-11(18-9)12(13,14)15)20-6-17-7(2)8(20)3/h5-6H,4H2,1-3H3,(H,16,18,19).
What are the key properties of 6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 285.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).