2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine

C9H13N3 — CID 123921657

IUPAC2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine
SMILES[H]/N=c1\c(C)cnc(C)n1C=CC
InChIInChI=1S/C9H13N3/c1-4-5-12-8(3)11-6-7(2)9(12)10/h4-6,10H,1-3H3/b5-4?,10-9+
InChIKeyBEQUBWWZODWNGE-GJTAXNKZSA-N
MW163.22 g/mol
LogP1.47
Rot. Bonds1

About 2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine

2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine (PubChem CID 123921657) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine.

Molecular Properties

Compound Name2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine
PubChem CID123921657
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine
SMILES[H]/N=c1\c(C)cnc(C)n1C=CC
InChIInChI=1S/C9H13N3/c1-4-5-12-8(3)11-6-7(2)9(12)10/h4-6,10H,1-3H3/b5-4?,10-9+
InChIKeyBEQUBWWZODWNGE-GJTAXNKZSA-N
XLogP1.47
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine?
The IUPAC name of 2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine (CID 123921657) is 2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine.
What is the SMILES notation for 2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine?
The canonical SMILES for 2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine is [H]/N=c1\c(C)cnc(C)n1C=CC.
What is the InChIKey of 2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine?
The InChIKey is BEQUBWWZODWNGE-GJTAXNKZSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-5-12-8(3)11-6-7(2)9(12)10/h4-6,10H,1-3H3/b5-4?,10-9+.
What are the key properties of 2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine?
2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine has a molecular weight of 163.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-prop-1-enylpyrimidin-4-imine is sourced from PubChem (CID 123921657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).