N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine

C12H17N5O — CID 102951798

IUPACN-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ncn1)c1nccn1C
InChIInChI=1S/C12H17N5O/c1-4-13-11(12-14-5-6-17(12)2)9-7-10(18-3)16-8-15-9/h5-8,11,13H,4H2,1-3H3
InChIKeyXBGOPJPZPVGCNU-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.92
Rot. Bonds5

About N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine

N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 102951798) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID102951798
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ncn1)c1nccn1C
InChIInChI=1S/C12H17N5O/c1-4-13-11(12-14-5-6-17(12)2)9-7-10(18-3)16-8-15-9/h5-8,11,13H,4H2,1-3H3
InChIKeyXBGOPJPZPVGCNU-UHFFFAOYSA-N
XLogP0.92
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methanamine
CID 102950782
N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975384
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
(1-ethylimidazol-2-yl)-(6-methoxypyrimidin-4-yl)methanamine
CID 102950568
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951879
N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951759
N-[(5-fluoro-2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82769072
N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 114022999
N-[(1-methylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 65199028
1-(6-methoxypyrimidin-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 102950952
N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951792

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine (CID 102951798) is N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine is CCNC(c1cc(OC)ncn1)c1nccn1C.
What is the InChIKey of N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is XBGOPJPZPVGCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-13-11(12-14-5-6-17(12)2)9-7-10(18-3)16-8-15-9/h5-8,11,13H,4H2,1-3H3.
What are the key properties of N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine?
N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 102951798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).