4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine

C18H21N5S — CID 110110520

IUPAC4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
SMILESCc1cc(-c2ncc(C)[nH]2)nc(C2CCCN2Cc2ccsc2)n1
InChIInChI=1S/C18H21N5S/c1-12-8-15(17-19-9-13(2)21-17)22-18(20-12)16-4-3-6-23(16)10-14-5-7-24-11-14/h5,7-9,11,16H,3-4,6,10H2,1-2H3,(H,19,21)
InChIKeyAUCUAQOCYAPOTC-UHFFFAOYSA-N
MW339.47 g/mol
LogP3.88
Rot. Bonds4

About 4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine

4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine (PubChem CID 110110520) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is 4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
PubChem CID110110520
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC Name4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
SMILESCc1cc(-c2ncc(C)[nH]2)nc(C2CCCN2Cc2ccsc2)n1
InChIInChI=1S/C18H21N5S/c1-12-8-15(17-19-9-13(2)21-17)22-18(20-12)16-4-3-6-23(16)10-14-5-7-24-11-14/h5,7-9,11,16H,3-4,6,10H2,1-2H3,(H,19,21)
InChIKeyAUCUAQOCYAPOTC-UHFFFAOYSA-N
XLogP3.88
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine?
The IUPAC name of 4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine (CID 110110520) is 4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine is Cc1cc(-c2ncc(C)[nH]2)nc(C2CCCN2Cc2ccsc2)n1.
What is the InChIKey of 4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine?
The InChIKey is AUCUAQOCYAPOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S/c1-12-8-15(17-19-9-13(2)21-17)22-18(20-12)16-4-3-6-23(16)10-14-5-7-24-11-14/h5,7-9,11,16H,3-4,6,10H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine?
4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine has a molecular weight of 339.47 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine is sourced from PubChem (CID 110110520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).