5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C22H32N4O3 — CID 657683

IUPAC5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN(CC)CCCC(C)/N=C(\c1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C22H32N4O3/c1-6-26(7-2)15-11-12-16(3)23-19(17-13-9-8-10-14-17)18-20(27)24(4)22(29)25(5)21(18)28/h8-10,13-14,16,27H,6-7,11-12,15H2,1-5H3/b23-19+
InChIKeyMMWAFZYTMHZBJA-FCDQGJHFSA-N
MW400.52 g/mol
LogP2.14
Rot. Bonds9

About 5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 657683) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID657683
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN(CC)CCCC(C)/N=C(\c1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C22H32N4O3/c1-6-26(7-2)15-11-12-16(3)23-19(17-13-9-8-10-14-17)18-20(27)24(4)22(29)25(5)21(18)28/h8-10,13-14,16,27H,6-7,11-12,15H2,1-5H3/b23-19+
InChIKeyMMWAFZYTMHZBJA-FCDQGJHFSA-N
XLogP2.14
TPSA79.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 657683) is 5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is CCN(CC)CCCC(C)/N=C(\c1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is MMWAFZYTMHZBJA-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-6-26(7-2)15-11-12-16(3)23-19(17-13-9-8-10-14-17)18-20(27)24(4)22(29)25(5)21(18)28/h8-10,13-14,16,27H,6-7,11-12,15H2,1-5H3/b23-19+.
What are the key properties of 5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 400.52 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 657683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).