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

C9H11N5 — CID 130509154

IUPAC2-(1-ethylimidazol-4-yl)pyrimidin-4-amine
SMILESCCn1cnc(-c2nccc(N)n2)c1
InChIInChI=1S/C9H11N5/c1-2-14-5-7(12-6-14)9-11-4-3-8(10)13-9/h3-6H,2H2,1H3,(H2,10,11,13)
InChIKeyVRBAUOIEVVHTGQ-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.94
Rot. Bonds2

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

2-(1-ethylimidazol-4-yl)pyrimidin-4-amine (PubChem CID 130509154) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(1-ethylimidazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethylimidazol-4-yl)pyrimidin-4-amine
PubChem CID130509154
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name2-(1-ethylimidazol-4-yl)pyrimidin-4-amine
SMILESCCn1cnc(-c2nccc(N)n2)c1
InChIInChI=1S/C9H11N5/c1-2-14-5-7(12-6-14)9-11-4-3-8(10)13-9/h3-6H,2H2,1H3,(H2,10,11,13)
InChIKeyVRBAUOIEVVHTGQ-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(1-ethylimidazol-4-yl)pyrimidin-4-amine (CID 130509154) is 2-(1-ethylimidazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethylimidazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(1-ethylimidazol-4-yl)pyrimidin-4-amine is CCn1cnc(-c2nccc(N)n2)c1.
What is the InChIKey of 2-(1-ethylimidazol-4-yl)pyrimidin-4-amine?
The InChIKey is VRBAUOIEVVHTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-14-5-7(12-6-14)9-11-4-3-8(10)13-9/h3-6H,2H2,1H3,(H2,10,11,13).
What are the key properties of 2-(1-ethylimidazol-4-yl)pyrimidin-4-amine?
2-(1-ethylimidazol-4-yl)pyrimidin-4-amine has a molecular weight of 189.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 130509154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).