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

C10H10F3N5 — CID 106773489

IUPAC6-(4,5-dimethylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ncn(-c2cc(N)nc(C(F)(F)F)n2)c1C
InChIInChI=1S/C10H10F3N5/c1-5-6(2)18(4-15-5)8-3-7(14)16-9(17-8)10(11,12)13/h3-4H,1-2H3,(H2,14,16,17)
InChIKeyREFLKZRBKZHUKV-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.88
Rot. Bonds1

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

6-(4,5-dimethylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773489) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 6-(4,5-dimethylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4,5-dimethylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773489
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name6-(4,5-dimethylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ncn(-c2cc(N)nc(C(F)(F)F)n2)c1C
InChIInChI=1S/C10H10F3N5/c1-5-6(2)18(4-15-5)8-3-7(14)16-9(17-8)10(11,12)13/h3-4H,1-2H3,(H2,14,16,17)
InChIKeyREFLKZRBKZHUKV-UHFFFAOYSA-N
XLogP1.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-3-[6-[4-(trifluoromethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 134135736
1-Ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea
CID 134139840
N-ethyl-6-(1H-imidazol-1-yl)pyrimidin-4-amine
CID 53015201
6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 138030384
N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 59728181
N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 59728209
4-Fluoro-6-(4-iodo-2,5-dimethyl-imidazol-1-yl)-pyrimidine
CID 66865373
2-[4-(Trifluoromethyl)imidazol-1-yl]pyrimidin-5-amine
CID 68157299
N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine
CID 69387530
2-(Trifluoromethyl)-4-[5-(trifluoromethyl)imidazol-1-yl]pyrimidine
CID 88110692
2-(2-Imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine
CID 90462316
2-pyrazin-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 141157837

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773489) is 6-(4,5-dimethylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4,5-dimethylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4,5-dimethylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is Cc1ncn(-c2cc(N)nc(C(F)(F)F)n2)c1C.
What is the InChIKey of 6-(4,5-dimethylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is REFLKZRBKZHUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-5-6(2)18(4-15-5)8-3-7(14)16-9(17-8)10(11,12)13/h3-4H,1-2H3,(H2,14,16,17).
What are the key properties of 6-(4,5-dimethylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(4,5-dimethylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 257.22 g/mol, XLogP of 1.88, 1 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)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).