[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone

C18H26N6OS — CID 72870522

IUPAC[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
SMILESCSc1ncc(C(=O)N2CCC(c3nccn3CCN(C)C)CC2)cn1
InChIInChI=1S/C18H26N6OS/c1-22(2)10-11-23-9-6-19-16(23)14-4-7-24(8-5-14)17(25)15-12-20-18(26-3)21-13-15/h6,9,12-14H,4-5,7-8,10-11H2,1-3H3
InChIKeyUFPRBUANHCDYFN-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.98
Rot. Bonds6

About [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone

[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone (PubChem CID 72870522) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
PubChem CID72870522
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC Name[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
SMILESCSc1ncc(C(=O)N2CCC(c3nccn3CCN(C)C)CC2)cn1
InChIInChI=1S/C18H26N6OS/c1-22(2)10-11-23-9-6-19-16(23)14-4-7-24(8-5-14)17(25)15-12-20-18(26-3)21-13-15/h6,9,12-14H,4-5,7-8,10-11H2,1-3H3
InChIKeyUFPRBUANHCDYFN-UHFFFAOYSA-N
XLogP1.98
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone?
The IUPAC name of [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone (CID 72870522) is [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone is CSc1ncc(C(=O)N2CCC(c3nccn3CCN(C)C)CC2)cn1.
What is the InChIKey of [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone?
The InChIKey is UFPRBUANHCDYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-22(2)10-11-23-9-6-19-16(23)14-4-7-24(8-5-14)17(25)15-12-20-18(26-3)21-13-15/h6,9,12-14H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone?
[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone has a molecular weight of 374.51 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone is sourced from PubChem (CID 72870522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).