5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine

C19H26N6S — CID 16676765

IUPAC5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cnc(N(C)C)nc2)s1
InChIInChI=1S/C19H26N6S/c1-16-5-6-18(26-16)14-25(9-4-8-24-10-7-20-15-24)13-17-11-21-19(22-12-17)23(2)3/h5-7,10-12,15H,4,8-9,13-14H2,1-3H3
InChIKeyXWSJKAQIPUBYQM-UHFFFAOYSA-N
MW370.53 g/mol
LogP3.20
Rot. Bonds9

About 5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine

5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 16676765) has the molecular formula C19H26N6S and a molecular weight of 370.53 g/mol. Its IUPAC name is 5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID16676765
Molecular FormulaC19H26N6S
Molecular Weight370.53 g/mol
Exact Mass370.19
IUPAC Name5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cnc(N(C)C)nc2)s1
InChIInChI=1S/C19H26N6S/c1-16-5-6-18(26-16)14-25(9-4-8-24-10-7-20-15-24)13-17-11-21-19(22-12-17)23(2)3/h5-7,10-12,15H,4,8-9,13-14H2,1-3H3
InChIKeyXWSJKAQIPUBYQM-UHFFFAOYSA-N
XLogP3.20
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine (CID 16676765) is 5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine is Cc1ccc(CN(CCCn2ccnc2)Cc2cnc(N(C)C)nc2)s1.
What is the InChIKey of 5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is XWSJKAQIPUBYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6S/c1-16-5-6-18(26-16)14-25(9-4-8-24-10-7-20-15-24)13-17-11-21-19(22-12-17)23(2)3/h5-7,10-12,15H,4,8-9,13-14H2,1-3H3.
What are the key properties of 5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine?
5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 370.53 g/mol, XLogP of 3.20, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 16676765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).