N-ethyl-6-imidazol-1-ylpyrimidin-4-amine

C9H11N5 — CID 53015201

IUPACN-ethyl-6-imidazol-1-ylpyrimidin-4-amine
SMILESCCNc1cc(-n2ccnc2)ncn1
InChIInChI=1S/C9H11N5/c1-2-11-8-5-9(13-6-12-8)14-4-3-10-7-14/h3-7H,2H2,1H3,(H,11,12,13)
InChIKeyKKUNJHHJATXKQZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.09
Rot. Bonds3

About N-ethyl-6-imidazol-1-ylpyrimidin-4-amine

N-ethyl-6-imidazol-1-ylpyrimidin-4-amine (PubChem CID 53015201) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-ethyl-6-imidazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-imidazol-1-ylpyrimidin-4-amine
PubChem CID53015201
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-ethyl-6-imidazol-1-ylpyrimidin-4-amine
SMILESCCNc1cc(-n2ccnc2)ncn1
InChIInChI=1S/C9H11N5/c1-2-11-8-5-9(13-6-12-8)14-4-3-10-7-14/h3-7H,2H2,1H3,(H,11,12,13)
InChIKeyKKUNJHHJATXKQZ-UHFFFAOYSA-N
XLogP1.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-imidazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-imidazol-1-ylpyrimidin-4-amine (CID 53015201) is N-ethyl-6-imidazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-imidazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-imidazol-1-ylpyrimidin-4-amine is CCNc1cc(-n2ccnc2)ncn1.
What is the InChIKey of N-ethyl-6-imidazol-1-ylpyrimidin-4-amine?
The InChIKey is KKUNJHHJATXKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-11-8-5-9(13-6-12-8)14-4-3-10-7-14/h3-7H,2H2,1H3,(H,11,12,13).
What are the key properties of N-ethyl-6-imidazol-1-ylpyrimidin-4-amine?
N-ethyl-6-imidazol-1-ylpyrimidin-4-amine has a molecular weight of 189.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-imidazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 53015201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).