2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine

C13H19N5O — CID 56867185

IUPAC2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine
SMILESCOCc1ncc(-c2nccn2CCN(C)C)cn1
InChIInChI=1S/C13H19N5O/c1-17(2)6-7-18-5-4-14-13(18)11-8-15-12(10-19-3)16-9-11/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyYRRHHUHJCPBULE-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.05
Rot. Bonds6

About 2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine

2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 56867185) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine
PubChem CID56867185
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine
SMILESCOCc1ncc(-c2nccn2CCN(C)C)cn1
InChIInChI=1S/C13H19N5O/c1-17(2)6-7-18-5-4-14-13(18)11-8-15-12(10-19-3)16-9-11/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyYRRHHUHJCPBULE-UHFFFAOYSA-N
XLogP1.05
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine (CID 56867185) is 2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine is COCc1ncc(-c2nccn2CCN(C)C)cn1.
What is the InChIKey of 2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is YRRHHUHJCPBULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-17(2)6-7-18-5-4-14-13(18)11-8-15-12(10-19-3)16-9-11/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine?
2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methoxymethyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 56867185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).