1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine

C14H18F3N5 — CID 56714603

IUPAC1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine
SMILESCc1cc(C(F)(F)F)nc(CCNC(C)Cn2ccnc2)n1
InChIInChI=1S/C14H18F3N5/c1-10-7-12(14(15,16)17)21-13(20-10)3-4-19-11(2)8-22-6-5-18-9-22/h5-7,9,11,19H,3-4,8H2,1-2H3
InChIKeyGJLITIDAHLDKSE-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.22
Rot. Bonds6

About 1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine

1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine (PubChem CID 56714603) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine
PubChem CID56714603
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC Name1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine
SMILESCc1cc(C(F)(F)F)nc(CCNC(C)Cn2ccnc2)n1
InChIInChI=1S/C14H18F3N5/c1-10-7-12(14(15,16)17)21-13(20-10)3-4-19-11(2)8-22-6-5-18-9-22/h5-7,9,11,19H,3-4,8H2,1-2H3
InChIKeyGJLITIDAHLDKSE-UHFFFAOYSA-N
XLogP2.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-imidazol-5-yl)ethyl]guanidine
CID 5159263
2-Imidazol-1-yl-4,6-dimethylpyrimidine
CID 11206064
N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 46958595
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide
CID 46981387
N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 50950568
4,6-dimethyl-N-(1-methyl-2-pyrazin-2-ylethyl)pyrimidin-2-amine
CID 50967182
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870118
N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
CID 56893902
4-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]-1-piperazinyl}-6-(trifluoromethyl)pyrimidine
CID 56906811
4,6-Dimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 95828207
4,6-Dimethyl-2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine
CID 110257118
2-methyl-N-pyrazin-2-yl-6-pyrrolidin-2-ylpyrimidin-4-amine
CID 110269441

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine (CID 56714603) is 1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine is Cc1cc(C(F)(F)F)nc(CCNC(C)Cn2ccnc2)n1.
What is the InChIKey of 1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine?
The InChIKey is GJLITIDAHLDKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5/c1-10-7-12(14(15,16)17)21-13(20-10)3-4-19-11(2)8-22-6-5-18-9-22/h5-7,9,11,19H,3-4,8H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine?
1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine has a molecular weight of 313.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 56714603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).