1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione

C15H20N4O2 — CID 142399923

IUPAC1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione
SMILESC[C@H](NNCCCn1ccc(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C15H20N4O2/c1-12(13-6-3-2-4-7-13)18-16-9-5-10-19-11-8-14(20)17-15(19)21/h2-4,6-8,11-12,16,18H,5,9-10H2,1H3,(H,17,20,21)/t12-/m0/s1
InChIKeyLHILDOMWZVOFKC-LBPRGKRZSA-N
MW288.35 g/mol
LogP0.78
Rot. Bonds7

About 1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione

1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione (PubChem CID 142399923) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione
PubChem CID142399923
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione
SMILESC[C@H](NNCCCn1ccc(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C15H20N4O2/c1-12(13-6-3-2-4-7-13)18-16-9-5-10-19-11-8-14(20)17-15(19)21/h2-4,6-8,11-12,16,18H,5,9-10H2,1H3,(H,17,20,21)/t12-/m0/s1
InChIKeyLHILDOMWZVOFKC-LBPRGKRZSA-N
XLogP0.78
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide
CID 135219919
1-[2-[(3-methyl-2-phenylbutyl)amino]ethyl]pyrimidine-2,4-dione
CID 154769752
3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide
CID 44544654
1-[3-(1-phenylpropylamino)sulfanylpropyl]pyrimidine-2,4-dione
CID 143904449
1-[5-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentyl]pyrimidine-2,4-dione
CID 135219931
3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propane-1-sulfonamide
CID 44544760
1-[5-[2-[1-[3-(cyclopropylmethoxy)phenyl]propyl]hydrazinyl]pentyl]pyrimidine-2,4-dione
CID 142399595
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632771
1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione
CID 62563033
1-butylpyrimidine-2,4-dione;methanol;palladium
CID 178051996
1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
CID 63810428

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione (CID 142399923) is 1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione is C[C@H](NNCCCn1ccc(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of 1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione?
The InChIKey is LHILDOMWZVOFKC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-12(13-6-3-2-4-7-13)18-16-9-5-10-19-11-8-14(20)17-15(19)21/h2-4,6-8,11-12,16,18H,5,9-10H2,1H3,(H,17,20,21)/t12-/m0/s1.
What are the key properties of 1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione?
1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 142399923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).