N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine

C15H23N5 — CID 131926669

IUPACN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCn2cnc(C)c2C)nc(C)n1
InChIInChI=1S/C15H23N5/c1-5-6-14-9-15(19-13(4)18-14)16-7-8-20-10-17-11(2)12(20)3/h9-10H,5-8H2,1-4H3,(H,16,18,19)
InChIKeyWMJNZFDWZVVPJL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine (PubChem CID 131926669) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine
PubChem CID131926669
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCn2cnc(C)c2C)nc(C)n1
InChIInChI=1S/C15H23N5/c1-5-6-14-9-15(19-13(4)18-14)16-7-8-20-10-17-11(2)12(20)3/h9-10H,5-8H2,1-4H3,(H,16,18,19)
InChIKeyWMJNZFDWZVVPJL-UHFFFAOYSA-N
XLogP2.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine (CID 131926669) is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine is CCCc1cc(NCCn2cnc(C)c2C)nc(C)n1.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine?
The InChIKey is WMJNZFDWZVVPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-5-6-14-9-15(19-13(4)18-14)16-7-8-20-10-17-11(2)12(20)3/h9-10H,5-8H2,1-4H3,(H,16,18,19).
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine?
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 131926669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).