1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione

C27H25N3O3 — CID 131846915

IUPAC1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione
SMILESO=C(c1ccccc1)n1c(=O)ccn(CCCNC(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C27H25N3O3/c31-24-17-20-29(27(33)30(24)26(32)23-15-8-3-9-16-23)19-10-18-28-25(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-9,11-17,20,25,28H,10,18-19H2
InChIKeyDVQBUJCGINDAPG-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.47
Rot. Bonds8

About 1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione

1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione (PubChem CID 131846915) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione
PubChem CID131846915
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione
SMILESO=C(c1ccccc1)n1c(=O)ccn(CCCNC(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C27H25N3O3/c31-24-17-20-29(27(33)30(24)26(32)23-15-8-3-9-16-23)19-10-18-28-25(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-9,11-17,20,25,28H,10,18-19H2
InChIKeyDVQBUJCGINDAPG-UHFFFAOYSA-N
XLogP3.47
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-benzoyl-2,4-dioxopyrimidin-1-yl)propanal
CID 170428858
3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione
CID 132500082
3-benzoyl-1-[[1-(4-methylphenyl)sulfonyl-4-(phenylsulfanylmethyl)pyrrol-3-yl]methyl]pyrimidine-2,4-dione
CID 132821554
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
1-benzhydryl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889375
N-benzhydryldecan-1-amine
CID 57251579
N-benzhydryloctan-1-amine;hydrate
CID 173441566
N-benzhydrylhexan-1-amine;hydrate
CID 173442267
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301
N-benzhydrylhexan-1-amine;hydrochloride
CID 173426900
N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide
CID 55912679
3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione
CID 63812517

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione?
The IUPAC name of 1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione (CID 131846915) is 1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione is O=C(c1ccccc1)n1c(=O)ccn(CCCNC(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of 1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione?
The InChIKey is DVQBUJCGINDAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c31-24-17-20-29(27(33)30(24)26(32)23-15-8-3-9-16-23)19-10-18-28-25(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-9,11-17,20,25,28H,10,18-19H2.
What are the key properties of 1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione?
1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione has a molecular weight of 439.52 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione is sourced from PubChem (CID 131846915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).