N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C12H14F3N5 — CID 106773514

IUPACN-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCc1nccn1-c1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5/c1-3-4-9-17-5-6-20(9)10-7-8(16-2)18-11(19-10)12(13,14)15/h5-7H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyBFYUNNNUSSCONX-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.68
Rot. Bonds4

About N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine

N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773514) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773514
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCc1nccn1-c1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5/c1-3-4-9-17-5-6-20(9)10-7-8(16-2)18-11(19-10)12(13,14)15/h5-7H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyBFYUNNNUSSCONX-UHFFFAOYSA-N
XLogP2.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769668
5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306319
6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 80857537
6-(4,5-dimethylimidazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773488
4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771884
6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773569
N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772947
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673
4-methoxy-6-(2-propylimidazol-1-yl)pyrimidin-2-amine
CID 114053325
6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770980
N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine
CID 80857445
6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770293

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773514) is N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CCCc1nccn1-c1cc(NC)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BFYUNNNUSSCONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-3-4-9-17-5-6-20(9)10-7-8(16-2)18-11(19-10)12(13,14)15/h5-7H,3-4H2,1-2H3,(H,16,18,19).
What are the key properties of N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 285.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).