2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine

C16H13N5S2 — CID 54029276

IUPAC2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine
SMILESCN(c1cccs1)c1nc(-n2ccnc2)ncc1-c1cccs1
InChIInChI=1S/C16H13N5S2/c1-20(14-5-3-9-23-14)15-12(13-4-2-8-22-13)10-18-16(19-15)21-7-6-17-11-21/h2-11H,1H3
InChIKeyLEKNJIBONNCUAG-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.22
Rot. Bonds4

About 2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine

2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine (PubChem CID 54029276) has the molecular formula C16H13N5S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine
PubChem CID54029276
Molecular FormulaC16H13N5S2
Molecular Weight339.45 g/mol
Exact Mass339.06
IUPAC Name2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine
SMILESCN(c1cccs1)c1nc(-n2ccnc2)ncc1-c1cccs1
InChIInChI=1S/C16H13N5S2/c1-20(14-5-3-9-23-14)15-12(13-4-2-8-22-13)10-18-16(19-15)21-7-6-17-11-21/h2-11H,1H3
InChIKeyLEKNJIBONNCUAG-UHFFFAOYSA-N
XLogP4.22
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-imidazol-1-yl-N-(4-methoxyphenyl)-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
CID 67769093
N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
CID 22402364
N-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
CID 22402376
N-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-imidazol-1-yl-N-methylpyrimidin-4-amine
CID 54283001
N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122300931
4-methoxy-5-thiophen-2-ylpyrimidine
CID 173254670
2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine
CID 57152815
2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol
CID 67619633
7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline
CID 162750467
4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80770959
2-methyl-3-thiophen-2-ylpyridine
CID 118471782
N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 11537324

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine?
The IUPAC name of 2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine (CID 54029276) is 2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine is CN(c1cccs1)c1nc(-n2ccnc2)ncc1-c1cccs1.
What is the InChIKey of 2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine?
The InChIKey is LEKNJIBONNCUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S2/c1-20(14-5-3-9-23-14)15-12(13-4-2-8-22-13)10-18-16(19-15)21-7-6-17-11-21/h2-11H,1H3.
What are the key properties of 2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine?
2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine has a molecular weight of 339.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 54029276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).