5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine

C9H8F3N5 — CID 171530536

IUPAC5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine
SMILESCn1cc(C(F)(F)F)nc1-c1cnc(N)nc1
InChIInChI=1S/C9H8F3N5/c1-17-4-6(9(10,11)12)16-7(17)5-2-14-8(13)15-3-5/h2-4H,1H3,(H2,13,14,15)
InChIKeyDKLOUVHLLFUPKQ-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.48
Rot. Bonds1

About 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine

5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine (PubChem CID 171530536) has the molecular formula C9H8F3N5 and a molecular weight of 243.19 g/mol. Its IUPAC name is 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine
PubChem CID171530536
Molecular FormulaC9H8F3N5
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine
SMILESCn1cc(C(F)(F)F)nc1-c1cnc(N)nc1
InChIInChI=1S/C9H8F3N5/c1-17-4-6(9(10,11)12)16-7(17)5-2-14-8(13)15-3-5/h2-4H,1H3,(H2,13,14,15)
InChIKeyDKLOUVHLLFUPKQ-UHFFFAOYSA-N
XLogP1.48
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.48
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
3-(Trifluoromethyl)imidazo[1,5-a]pyrazine
CID 34176321
2-[2-(2-methoxypyrimidin-5-yl)-1H-imidazol-1-yl]-N,N-dimethylethanamine
CID 56869757
6-[2-(2,4-Dimethyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 21976075
(6-Methylimidazo[1,2-a]pyrimidin-2-yl)methanamine
CID 55266767
N,N,2-trimethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-amine
CID 134862830
2-(2-Methyl-1H-imidazol-1-YL)pyrimidine
CID 11974107
9-Ethyl-2-aminopurine
CID 21823378
2-Amino-9-propyl-purine
CID 58755499
N~2~,N~4~,N~4~,5-tetramethyl-N~2~-[3-(1-methyl-1H-imidazol-2-yl)propyl]pyrimidine-2,4-diamine
CID 50965651
5-(1-cyclopentyl-1H-imidazol-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 56750335
5-methyl-N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)pyrimidin-2-amine
CID 72909182

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine (CID 171530536) is 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine is Cn1cc(C(F)(F)F)nc1-c1cnc(N)nc1.
What is the InChIKey of 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine?
The InChIKey is DKLOUVHLLFUPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5/c1-17-4-6(9(10,11)12)16-7(17)5-2-14-8(13)15-3-5/h2-4H,1H3,(H2,13,14,15).
What are the key properties of 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine?
5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine has a molecular weight of 243.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 171530536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).