1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione

C12H19N3O2 — CID 113465620

IUPAC1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione
SMILESC/C=C/CCNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H19N3O2/c1-4-5-6-7-13-9-10-8-11(16)15(3)12(17)14(10)2/h4-5,8,13H,6-7,9H2,1-3H3/b5-4+
InChIKeyLWUAJTYWLDLJSW-SNAWJCMRSA-N
MW237.30 g/mol
LogP0.14
Rot. Bonds5

About 1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione (PubChem CID 113465620) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione
PubChem CID113465620
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione
SMILESC/C=C/CCNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H19N3O2/c1-4-5-6-7-13-9-10-8-11(16)15(3)12(17)14(10)2/h4-5,8,13H,6-7,9H2,1-3H3/b5-4+
InChIKeyLWUAJTYWLDLJSW-SNAWJCMRSA-N
XLogP0.14
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione (CID 113465620) is 1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione is C/C=C/CCNCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione?
The InChIKey is LWUAJTYWLDLJSW-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-5-6-7-13-9-10-8-11(16)15(3)12(17)14(10)2/h4-5,8,13H,6-7,9H2,1-3H3/b5-4+.
What are the key properties of 1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 113465620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).