4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine

C12H17N5O — CID 112637048

IUPAC4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2nccn2C)n1
InChIInChI=1S/C12H17N5O/c1-3-18-11-5-7-15-12(16-11)14-6-4-10-13-8-9-17(10)2/h5,7-9H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyMIMWCKCBSOKLFD-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.26
Rot. Bonds6

About 4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine

4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 112637048) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
PubChem CID112637048
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2nccn2C)n1
InChIInChI=1S/C12H17N5O/c1-3-18-11-5-7-15-12(16-11)14-6-4-10-13-8-9-17(10)2/h5,7-9H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyMIMWCKCBSOKLFD-UHFFFAOYSA-N
XLogP1.26
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62870794
4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
CID 106418608
3,4-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527460
4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
CID 112637712
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
CID 112638517
5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 105362496
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527450
4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
CID 125447537
5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 79556038

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine (CID 112637048) is 4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine is CCOc1ccnc(NCCc2nccn2C)n1.
What is the InChIKey of 4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is MIMWCKCBSOKLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-18-11-5-7-15-12(16-11)14-6-4-10-13-8-9-17(10)2/h5,7-9H,3-4,6H2,1-2H3,(H,14,15,16).
What are the key properties of 4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine?
4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 112637048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).