1-butylpyrimidin-2-imine

C8H13N3 — CID 165359023

IUPAC1-butylpyrimidin-2-imine
SMILES[H]/N=c1\ncccn1CCCC
InChIInChI=1S/C8H13N3/c1-2-3-6-11-7-4-5-10-8(11)9/h4-5,7,9H,2-3,6H2,1H3/b9-8+
InChIKeyZNQKIUVTKWSBGS-CMDGGOBGSA-N
MW151.21 g/mol
LogP1.16
Rot. Bonds3

About 1-butylpyrimidin-2-imine

1-butylpyrimidin-2-imine (PubChem CID 165359023) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-butylpyrimidin-2-imine.

Molecular Properties

Compound Name1-butylpyrimidin-2-imine
PubChem CID165359023
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-butylpyrimidin-2-imine
SMILES[H]/N=c1\ncccn1CCCC
InChIInChI=1S/C8H13N3/c1-2-3-6-11-7-4-5-10-8(11)9/h4-5,7,9H,2-3,6H2,1H3/b9-8+
InChIKeyZNQKIUVTKWSBGS-CMDGGOBGSA-N
XLogP1.16
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylpyrimidin-2-imine?
The IUPAC name of 1-butylpyrimidin-2-imine (CID 165359023) is 1-butylpyrimidin-2-imine.
What is the SMILES notation for 1-butylpyrimidin-2-imine?
The canonical SMILES for 1-butylpyrimidin-2-imine is [H]/N=c1\ncccn1CCCC.
What is the InChIKey of 1-butylpyrimidin-2-imine?
The InChIKey is ZNQKIUVTKWSBGS-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-3-6-11-7-4-5-10-8(11)9/h4-5,7,9H,2-3,6H2,1H3/b9-8+.
What are the key properties of 1-butylpyrimidin-2-imine?
1-butylpyrimidin-2-imine has a molecular weight of 151.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyrimidin-2-imine is sourced from PubChem (CID 165359023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).