1-prop-2-enyl-N-propylpyrimidin-2-imine

C10H15N3 — CID 171384509

IUPAC1-prop-2-enyl-N-propylpyrimidin-2-imine
SMILESC=CCn1cccn/c1=N\CCC
InChIInChI=1S/C10H15N3/c1-3-6-11-10-12-7-5-9-13(10)8-4-2/h4-5,7,9H,2-3,6,8H2,1H3/b11-10+
InChIKeyMYTFUNQXIYYDQV-ZHACJKMWSA-N
MW177.25 g/mol
LogP1.38
Rot. Bonds4

About 1-prop-2-enyl-N-propylpyrimidin-2-imine

1-prop-2-enyl-N-propylpyrimidin-2-imine (PubChem CID 171384509) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-prop-2-enyl-N-propylpyrimidin-2-imine.

Molecular Properties

Compound Name1-prop-2-enyl-N-propylpyrimidin-2-imine
PubChem CID171384509
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-prop-2-enyl-N-propylpyrimidin-2-imine
SMILESC=CCn1cccn/c1=N\CCC
InChIInChI=1S/C10H15N3/c1-3-6-11-10-12-7-5-9-13(10)8-4-2/h4-5,7,9H,2-3,6,8H2,1H3/b11-10+
InChIKeyMYTFUNQXIYYDQV-ZHACJKMWSA-N
XLogP1.38
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-N-propylpyrimidin-2-imine?
The IUPAC name of 1-prop-2-enyl-N-propylpyrimidin-2-imine (CID 171384509) is 1-prop-2-enyl-N-propylpyrimidin-2-imine.
What is the SMILES notation for 1-prop-2-enyl-N-propylpyrimidin-2-imine?
The canonical SMILES for 1-prop-2-enyl-N-propylpyrimidin-2-imine is C=CCn1cccn/c1=N\CCC.
What is the InChIKey of 1-prop-2-enyl-N-propylpyrimidin-2-imine?
The InChIKey is MYTFUNQXIYYDQV-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-6-11-10-12-7-5-9-13(10)8-4-2/h4-5,7,9H,2-3,6,8H2,1H3/b11-10+.
What are the key properties of 1-prop-2-enyl-N-propylpyrimidin-2-imine?
1-prop-2-enyl-N-propylpyrimidin-2-imine has a molecular weight of 177.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-N-propylpyrimidin-2-imine is sourced from PubChem (CID 171384509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).