6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione

C14H20N4O3 — CID 135475567

IUPAC6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C(C)=N/N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N4O3/c1-3-7-18-13(20)11(12(19)15-14(18)21)10(2)16-17-8-5-4-6-9-17/h3,20H,1,4-9H2,2H3,(H,15,19,21)/b16-10+
InChIKeyPFXGJQQINRAPLT-MHWRWJLKSA-N
MW292.34 g/mol
LogP0.64
Rot. Bonds4

About 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione

6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 135475567) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID135475567
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C(C)=N/N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N4O3/c1-3-7-18-13(20)11(12(19)15-14(18)21)10(2)16-17-8-5-4-6-9-17/h3,20H,1,4-9H2,2H3,(H,15,19,21)/b16-10+
InChIKeyPFXGJQQINRAPLT-MHWRWJLKSA-N
XLogP0.64
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione (CID 135475567) is 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(O)c(/C(C)=N/N2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is PFXGJQQINRAPLT-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-7-18-13(20)11(12(19)15-14(18)21)10(2)16-17-8-5-4-6-9-17/h3,20H,1,4-9H2,2H3,(H,15,19,21)/b16-10+.
What are the key properties of 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione?
6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 292.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 135475567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).