6-(2-ethylimidazol-1-yl)pyrimidin-4-amine

C9H11N5 — CID 80857532

IUPAC6-(2-ethylimidazol-1-yl)pyrimidin-4-amine
SMILESCCc1nccn1-c1cc(N)ncn1
InChIInChI=1S/C9H11N5/c1-2-8-11-3-4-14(8)9-5-7(10)12-6-13-9/h3-6H,2H2,1H3,(H2,10,12,13)
InChIKeyXGJHDHSVJVAYCH-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.81
Rot. Bonds2

About 6-(2-ethylimidazol-1-yl)pyrimidin-4-amine

6-(2-ethylimidazol-1-yl)pyrimidin-4-amine (PubChem CID 80857532) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-(2-ethylimidazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylimidazol-1-yl)pyrimidin-4-amine
PubChem CID80857532
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name6-(2-ethylimidazol-1-yl)pyrimidin-4-amine
SMILESCCc1nccn1-c1cc(N)ncn1
InChIInChI=1S/C9H11N5/c1-2-8-11-3-4-14(8)9-5-7(10)12-6-13-9/h3-6H,2H2,1H3,(H2,10,12,13)
InChIKeyXGJHDHSVJVAYCH-UHFFFAOYSA-N
XLogP0.81
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(2-ethylimidazol-1-yl)pyrimidin-4-amine
CID 80941714
4-(2-ethylimidazol-1-yl)pyrimidine
CID 63812306
6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 80857537
4-(2-ethylimidazol-1-yl)-2,6-dimethylpyrimidine
CID 55238460
2-(2-ethylimidazol-1-yl)-5-methylaniline
CID 61402224
6-(2-ethylimidazol-1-yl)-5-methylpyridin-3-amine
CID 62476570
4-(2-ethylimidazol-1-yl)-3-fluoroaniline
CID 19627195
[4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80902349
N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine
CID 80857445
4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80857709
6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 78929729
4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine
CID 63730231

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylimidazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-(2-ethylimidazol-1-yl)pyrimidin-4-amine (CID 80857532) is 6-(2-ethylimidazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylimidazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylimidazol-1-yl)pyrimidin-4-amine is CCc1nccn1-c1cc(N)ncn1.
What is the InChIKey of 6-(2-ethylimidazol-1-yl)pyrimidin-4-amine?
The InChIKey is XGJHDHSVJVAYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-8-11-3-4-14(8)9-5-7(10)12-6-13-9/h3-6H,2H2,1H3,(H2,10,12,13).
What are the key properties of 6-(2-ethylimidazol-1-yl)pyrimidin-4-amine?
6-(2-ethylimidazol-1-yl)pyrimidin-4-amine has a molecular weight of 189.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylimidazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80857532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).