1-butyl-N-methylpyrimidin-2-imine

C9H15N3 — CID 171384475

IUPAC1-butyl-N-methylpyrimidin-2-imine
SMILESCCCCn1cccn/c1=N\C
InChIInChI=1S/C9H15N3/c1-3-4-7-12-8-5-6-11-9(12)10-2/h5-6,8H,3-4,7H2,1-2H3/b10-9+
InChIKeyMYAZXORQEYGMKN-MDZDMXLPSA-N
MW165.24 g/mol
LogP1.21
Rot. Bonds3

About 1-butyl-N-methylpyrimidin-2-imine

1-butyl-N-methylpyrimidin-2-imine (PubChem CID 171384475) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-butyl-N-methylpyrimidin-2-imine.

Molecular Properties

Compound Name1-butyl-N-methylpyrimidin-2-imine
PubChem CID171384475
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-butyl-N-methylpyrimidin-2-imine
SMILESCCCCn1cccn/c1=N\C
InChIInChI=1S/C9H15N3/c1-3-4-7-12-8-5-6-11-9(12)10-2/h5-6,8H,3-4,7H2,1-2H3/b10-9+
InChIKeyMYAZXORQEYGMKN-MDZDMXLPSA-N
XLogP1.21
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-methylpyrimidin-2-imine?
The IUPAC name of 1-butyl-N-methylpyrimidin-2-imine (CID 171384475) is 1-butyl-N-methylpyrimidin-2-imine.
What is the SMILES notation for 1-butyl-N-methylpyrimidin-2-imine?
The canonical SMILES for 1-butyl-N-methylpyrimidin-2-imine is CCCCn1cccn/c1=N\C.
What is the InChIKey of 1-butyl-N-methylpyrimidin-2-imine?
The InChIKey is MYAZXORQEYGMKN-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-4-7-12-8-5-6-11-9(12)10-2/h5-6,8H,3-4,7H2,1-2H3/b10-9+.
What are the key properties of 1-butyl-N-methylpyrimidin-2-imine?
1-butyl-N-methylpyrimidin-2-imine has a molecular weight of 165.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-methylpyrimidin-2-imine is sourced from PubChem (CID 171384475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).