5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione

C19H24N4O3 — CID 1398804

IUPAC5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C(C)=N/c2ccc(N(CC)CC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/c1-5-12-23-18(25)16(17(24)21-19(23)26)13(4)20-14-8-10-15(11-9-14)22(6-2)7-3/h5,8-11,25H,1,6-7,12H2,2-4H3,(H,21,24,26)/b20-13+
InChIKeyFVTJYHLTNQLWKL-DEDYPNTBSA-N
MW356.43 g/mol
LogP2.42
Rot. Bonds7

About 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione

5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 1398804) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID1398804
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C(C)=N/c2ccc(N(CC)CC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/c1-5-12-23-18(25)16(17(24)21-19(23)26)13(4)20-14-8-10-15(11-9-14)22(6-2)7-3/h5,8-11,25H,1,6-7,12H2,2-4H3,(H,21,24,26)/b20-13+
InChIKeyFVTJYHLTNQLWKL-DEDYPNTBSA-N
XLogP2.42
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione (CID 1398804) is 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(O)c(/C(C)=N/c2ccc(N(CC)CC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is FVTJYHLTNQLWKL-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-5-12-23-18(25)16(17(24)21-19(23)26)13(4)20-14-8-10-15(11-9-14)22(6-2)7-3/h5,8-11,25H,1,6-7,12H2,2-4H3,(H,21,24,26)/b20-13+.
What are the key properties of 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 1398804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).