N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine

C13H18N4O — CID 59728103

IUPACN-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine
SMILESCOc1cccc(N(Cc2cnc[nH]2)C(C)C)n1
InChIInChI=1S/C13H18N4O/c1-10(2)17(8-11-7-14-9-15-11)12-5-4-6-13(16-12)18-3/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKeyHXJNMJJXCIYGOW-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.23
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine

N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine (PubChem CID 59728103) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine
PubChem CID59728103
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine
SMILESCOc1cccc(N(Cc2cnc[nH]2)C(C)C)n1
InChIInChI=1S/C13H18N4O/c1-10(2)17(8-11-7-14-9-15-11)12-5-4-6-13(16-12)18-3/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKeyHXJNMJJXCIYGOW-UHFFFAOYSA-N
XLogP2.23
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine (CID 59728103) is N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine is COc1cccc(N(Cc2cnc[nH]2)C(C)C)n1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine?
The InChIKey is HXJNMJJXCIYGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(2)17(8-11-7-14-9-15-11)12-5-4-6-13(16-12)18-3/h4-7,9-10H,8H2,1-3H3,(H,14,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine?
N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine has a molecular weight of 246.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 59728103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).