6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine

C12H17N5O — CID 66327115

IUPAC6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(NCCc2nccn2C)nc(C)n1
InChIInChI=1S/C12H17N5O/c1-9-15-10(8-12(16-9)18-3)13-5-4-11-14-6-7-17(11)2/h6-8H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyXICUMTVTBVHQBS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.18
Rot. Bonds5

About 6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine

6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 66327115) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID66327115
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(NCCc2nccn2C)nc(C)n1
InChIInChI=1S/C12H17N5O/c1-9-15-10(8-12(16-9)18-3)13-5-4-11-14-6-7-17(11)2/h6-8H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyXICUMTVTBVHQBS-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956295
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66329570
4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80816885
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 63587851
4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527611
2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
CID 64503751
6-methoxy-2-methyl-N-octylpyrimidin-4-amine
CID 113337456
4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637048
N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326106
6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66327743
4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 118771709
1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
CID 106127472

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine (CID 66327115) is 6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine is COc1cc(NCCc2nccn2C)nc(C)n1.
What is the InChIKey of 6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is XICUMTVTBVHQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-15-10(8-12(16-9)18-3)13-5-4-11-14-6-7-17(11)2/h6-8H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of 6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine?
6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 66327115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).