1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea

C12H16N4O2 — CID 142134205

IUPAC1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea
SMILESC/C=C\C(=C/C)CNC(=O)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C12H16N4O2/c1-3-5-9(4-2)8-14-12(18)16-10-6-7-13-11(17)15-10/h3-7H,8H2,1-2H3,(H3,13,14,15,16,17,18)/b5-3-,9-4+
InChIKeyBFRFGVJUNYXSLB-LWUTYWFWSA-N
MW248.29 g/mol
LogP1.41
Rot. Bonds4

About 1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea

1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea (PubChem CID 142134205) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea.

Molecular Properties

Compound Name1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea
PubChem CID142134205
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea
SMILESC/C=C\C(=C/C)CNC(=O)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C12H16N4O2/c1-3-5-9(4-2)8-14-12(18)16-10-6-7-13-11(17)15-10/h3-7H,8H2,1-2H3,(H3,13,14,15,16,17,18)/b5-3-,9-4+
InChIKeyBFRFGVJUNYXSLB-LWUTYWFWSA-N
XLogP1.41
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide
CID 151290170
N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide
CID 154512190
6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one
CID 15535315
isocyanic acid;(2-oxo-1H-pyrimidin-6-yl)urea
CID 87278758
2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
CID 178052246
3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
CID 69002184
6-(aminomethylamino)-1H-pyrimidin-2-one
CID 150921149
4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide
CID 108807771
6-(ethynylamino)-1H-pyrimidin-2-one
CID 90023101
heptyl [(2-oxo-1H-pyrimidin-6-yl)amino] carbonate
CID 130409232
2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803336
N-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 156880536

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea?
The IUPAC name of 1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea (CID 142134205) is 1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea.
What is the SMILES notation for 1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea?
The canonical SMILES for 1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea is C/C=C\C(=C/C)CNC(=O)Nc1ccnc(=O)[nH]1.
What is the InChIKey of 1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea?
The InChIKey is BFRFGVJUNYXSLB-LWUTYWFWSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-5-9(4-2)8-14-12(18)16-10-6-7-13-11(17)15-10/h3-7H,8H2,1-2H3,(H3,13,14,15,16,17,18)/b5-3-,9-4+.
What are the key properties of 1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea?
1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea has a molecular weight of 248.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea is sourced from PubChem (CID 142134205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).