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

C13H16F3N5 — CID 106769668

IUPACN-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCn1ccnc1Cc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N5/c1-3-5-21-6-4-18-11(21)8-9-7-10(17-2)20-12(19-9)13(14,15)16/h4,6-7H,3,5,8H2,1-2H3,(H,17,19,20)
InChIKeyIEUPVDIBKWQFEU-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.73
Rot. Bonds5

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

N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769668) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769668
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCn1ccnc1Cc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N5/c1-3-5-21-6-4-18-11(21)8-9-7-10(17-2)20-12(19-9)13(14,15)16/h4,6-7H,3,5,8H2,1-2H3,(H,17,19,20)
InChIKeyIEUPVDIBKWQFEU-UHFFFAOYSA-N
XLogP2.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80952651
6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine
CID 79737865
N-ethyl-2-methyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79738067
N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773514
4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771884
4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine
CID 80945789
3-fluoro-4-[(1-propylimidazol-2-yl)methyl]aniline
CID 79737831
6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770293
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718475
N-ethyl-6-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769688
4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 62955979
N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62955935

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769668) is N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is CCCn1ccnc1Cc1cc(NC)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IEUPVDIBKWQFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-3-5-21-6-4-18-11(21)8-9-7-10(17-2)20-12(19-9)13(14,15)16/h4,6-7H,3,5,8H2,1-2H3,(H,17,19,20).
What are the key properties of N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 299.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).