N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

C17H18F3N7 — CID 136526304

IUPACN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1ncc(CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)n1C
InChIInChI=1S/C17H18F3N7/c1-26(2)16-23-10-12(27(16)3)9-22-14-7-13(17(18,19)20)24-15(25-14)11-5-4-6-21-8-11/h4-8,10H,9H2,1-3H3,(H,22,24,25)
InChIKeyJOPBSAHUSCUUCN-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.97
Rot. Bonds5

About N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 136526304) has the molecular formula C17H18F3N7 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID136526304
Molecular FormulaC17H18F3N7
Molecular Weight377.37 g/mol
Exact Mass377.16
IUPAC NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1ncc(CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)n1C
InChIInChI=1S/C17H18F3N7/c1-26(2)16-23-10-12(27(16)3)9-22-14-7-13(17(18,19)20)24-15(25-14)11-5-4-6-21-8-11/h4-8,10H,9H2,1-3H3,(H,22,24,25)
InChIKeyJOPBSAHUSCUUCN-UHFFFAOYSA-N
XLogP2.97
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 136526304) is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is CN(C)c1ncc(CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)n1C.
What is the InChIKey of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is JOPBSAHUSCUUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7/c1-26(2)16-23-10-12(27(16)3)9-22-14-7-13(17(18,19)20)24-15(25-14)11-5-4-6-21-8-11/h4-8,10H,9H2,1-3H3,(H,22,24,25).
What are the key properties of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 377.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 136526304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).