3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine

C19H19N5 — CID 142224065

IUPAC3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine
SMILESC=C(C/N=C1/NC(c2ccncn2)=CC(=C)N1C)c1ccccc1
InChIInChI=1S/C19H19N5/c1-14(16-7-5-4-6-8-16)12-21-19-23-18(11-15(2)24(19)3)17-9-10-20-13-22-17/h4-11,13H,1-2,12H2,3H3,(H,21,23)
InChIKeyVWZFBRZIPRDCEE-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.94
Rot. Bonds4

About 3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine

3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine (PubChem CID 142224065) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine.

Molecular Properties

Compound Name3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine
PubChem CID142224065
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine
SMILESC=C(C/N=C1/NC(c2ccncn2)=CC(=C)N1C)c1ccccc1
InChIInChI=1S/C19H19N5/c1-14(16-7-5-4-6-8-16)12-21-19-23-18(11-15(2)24(19)3)17-9-10-20-13-22-17/h4-11,13H,1-2,12H2,3H3,(H,21,23)
InChIKeyVWZFBRZIPRDCEE-UHFFFAOYSA-N
XLogP2.94
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine?
The IUPAC name of 3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine (CID 142224065) is 3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine.
What is the SMILES notation for 3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine?
The canonical SMILES for 3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine is C=C(C/N=C1/NC(c2ccncn2)=CC(=C)N1C)c1ccccc1.
What is the InChIKey of 3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine?
The InChIKey is VWZFBRZIPRDCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-14(16-7-5-4-6-8-16)12-21-19-23-18(11-15(2)24(19)3)17-9-10-20-13-22-17/h4-11,13H,1-2,12H2,3H3,(H,21,23).
What are the key properties of 3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine?
3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine has a molecular weight of 317.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine is sourced from PubChem (CID 142224065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).