1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione

C14H17ClN4O2 — CID 14100176

IUPAC1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(NN)n(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C14H17ClN4O2/c1-2-6-18-13(20)8-12(17-16)19(14(18)21)9-10-4-3-5-11(15)7-10/h3-5,7-8,17H,2,6,9,16H2,1H3
InChIKeyPJHIZWSNPBHTNL-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.41
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione

1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione (PubChem CID 14100176) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione
PubChem CID14100176
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(NN)n(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C14H17ClN4O2/c1-2-6-18-13(20)8-12(17-16)19(14(18)21)9-10-4-3-5-11(15)7-10/h3-5,7-8,17H,2,6,9,16H2,1H3
InChIKeyPJHIZWSNPBHTNL-UHFFFAOYSA-N
XLogP1.41
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione
CID 14986830
3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 14100173
N-[[(3-benzyl-2,6-dioxo-1-propylpyrimidin-4-yl)amino]carbamothioyl]acetamide
CID 14986831
1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one
CID 90815050
N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 18114716
5,6-diamino-1-benzyl-3-propylpyrimidine-2,4-dione
CID 11254336
N-butan-2-yl-2-[3-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46925312
11-[(3-chlorophenyl)methyl]-8-propyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-triene-7,12-dione
CID 53074346
1-chloro-3-propylbenzene;formyl chloride
CID 174310499
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
CID 62928989
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
CID 712735

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione (CID 14100176) is 1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione is CCCn1c(=O)cc(NN)n(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione?
The InChIKey is PJHIZWSNPBHTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-2-6-18-13(20)8-12(17-16)19(14(18)21)9-10-4-3-5-11(15)7-10/h3-5,7-8,17H,2,6,9,16H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione?
1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione has a molecular weight of 308.77 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione is sourced from PubChem (CID 14100176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).