1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine

C13H19N5 — CID 113388579

IUPAC1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine
SMILESCCc1nccn1-c1ncc(CC(N)CC)cn1
InChIInChI=1S/C13H19N5/c1-3-11(14)7-10-8-16-13(17-9-10)18-6-5-15-12(18)4-2/h5-6,8-9,11H,3-4,7,14H2,1-2H3
InChIKeyORLMHRPVWOOANT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.50
Rot. Bonds5

About 1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine

1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine (PubChem CID 113388579) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine
PubChem CID113388579
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine
SMILESCCc1nccn1-c1ncc(CC(N)CC)cn1
InChIInChI=1S/C13H19N5/c1-3-11(14)7-10-8-16-13(17-9-10)18-6-5-15-12(18)4-2/h5-6,8-9,11H,3-4,7,14H2,1-2H3
InChIKeyORLMHRPVWOOANT-UHFFFAOYSA-N
XLogP1.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine?
The IUPAC name of 1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine (CID 113388579) is 1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine?
The canonical SMILES for 1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine is CCc1nccn1-c1ncc(CC(N)CC)cn1.
What is the InChIKey of 1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine?
The InChIKey is ORLMHRPVWOOANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-11(14)7-10-8-16-13(17-9-10)18-6-5-15-12(18)4-2/h5-6,8-9,11H,3-4,7,14H2,1-2H3.
What are the key properties of 1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine?
1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine is sourced from PubChem (CID 113388579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).