1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea

C12H16N4O — CID 146387506

IUPAC1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea
SMILESC=CN(/C=C\C)C(=O)NC1=NC(C)=CC(=C)N1
InChIInChI=1S/C12H16N4O/c1-5-7-16(6-2)12(17)15-11-13-9(3)8-10(4)14-11/h5-8H,2-3H2,1,4H3,(H2,13,14,15,17)/b7-5-
InChIKeyJNQIRWRTOZBBEO-ALCCZGGFSA-N
MW232.29 g/mol
LogP2.05
Rot. Bonds2

About 1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea

1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea (PubChem CID 146387506) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea
PubChem CID146387506
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea
SMILESC=CN(/C=C\C)C(=O)NC1=NC(C)=CC(=C)N1
InChIInChI=1S/C12H16N4O/c1-5-7-16(6-2)12(17)15-11-13-9(3)8-10(4)14-11/h5-8H,2-3H2,1,4H3,(H2,13,14,15,17)/b7-5-
InChIKeyJNQIRWRTOZBBEO-ALCCZGGFSA-N
XLogP2.05
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea?
The IUPAC name of 1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea (CID 146387506) is 1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea.
What is the SMILES notation for 1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea?
The canonical SMILES for 1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea is C=CN(/C=C\C)C(=O)NC1=NC(C)=CC(=C)N1.
What is the InChIKey of 1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea?
The InChIKey is JNQIRWRTOZBBEO-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H16N4O/c1-5-7-16(6-2)12(17)15-11-13-9(3)8-10(4)14-11/h5-8H,2-3H2,1,4H3,(H2,13,14,15,17)/b7-5-.
What are the key properties of 1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea?
1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea has a molecular weight of 232.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea is sourced from PubChem (CID 146387506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).