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

C17H19N5S — CID 110110518

IUPAC4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
SMILESCc1cc(-c2ncc[nH]2)nc(C2CCCN2Cc2ccsc2)n1
InChIInChI=1S/C17H19N5S/c1-12-9-14(16-18-5-6-19-16)21-17(20-12)15-3-2-7-22(15)10-13-4-8-23-11-13/h4-6,8-9,11,15H,2-3,7,10H2,1H3,(H,18,19)
InChIKeyGCNLUCOBFDSUIE-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.57
Rot. Bonds4

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

4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine (PubChem CID 110110518) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
PubChem CID110110518
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
SMILESCc1cc(-c2ncc[nH]2)nc(C2CCCN2Cc2ccsc2)n1
InChIInChI=1S/C17H19N5S/c1-12-9-14(16-18-5-6-19-16)21-17(20-12)15-3-2-7-22(15)10-13-4-8-23-11-13/h4-6,8-9,11,15H,2-3,7,10H2,1H3,(H,18,19)
InChIKeyGCNLUCOBFDSUIE-UHFFFAOYSA-N
XLogP3.57
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine?
The IUPAC name of 4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine (CID 110110518) is 4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine?
The canonical SMILES for 4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine is Cc1cc(-c2ncc[nH]2)nc(C2CCCN2Cc2ccsc2)n1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine?
The InChIKey is GCNLUCOBFDSUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-12-9-14(16-18-5-6-19-16)21-17(20-12)15-3-2-7-22(15)10-13-4-8-23-11-13/h4-6,8-9,11,15H,2-3,7,10H2,1H3,(H,18,19).
What are the key properties of 4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine?
4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine has a molecular weight of 325.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine is sourced from PubChem (CID 110110518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).