3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

C16H22N4O3 — CID 14100173

IUPAC3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)cc(NN)n(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C16H22N4O3/c1-3-4-9-19-15(21)10-14(18-17)20(16(19)22)11-12-5-7-13(23-2)8-6-12/h5-8,10,18H,3-4,9,11,17H2,1-2H3
InChIKeyYPERGMQPLOYDKX-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.15
Rot. Bonds7

About 3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 14100173) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID14100173
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)cc(NN)n(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C16H22N4O3/c1-3-4-9-19-15(21)10-14(18-17)20(16(19)22)11-12-5-7-13(23-2)8-6-12/h5-8,10,18H,3-4,9,11,17H2,1-2H3
InChIKeyYPERGMQPLOYDKX-UHFFFAOYSA-N
XLogP1.15
TPSA91.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione
CID 14100176
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 143501880
2-[2-[[3-[(4-hydroxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]ethyl]guanidine
CID 91084536
6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 24861801
6-[(2-amino-4,6-dimethyl-3-pyridinyl)methylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 24861600
7-butyl-9-[(4-methoxyphenyl)methyl]-2-(3-pyrrolidin-1-ylpropylamino)purin-8-one
CID 178100261
5-hydrazinyl-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 118001666
tert-butyl 1,3-bis[(4-methoxyphenyl)methyl]-2,6-dioxopyrimidine-4-carboxylate
CID 150054234
3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 71375150
6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 56639619

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (CID 14100173) is 3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is CCCCn1c(=O)cc(NN)n(Cc2ccc(OC)cc2)c1=O.
What is the InChIKey of 3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is YPERGMQPLOYDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-4-9-19-15(21)10-14(18-17)20(16(19)22)11-12-5-7-13(23-2)8-6-12/h5-8,10,18H,3-4,9,11,17H2,1-2H3.
What are the key properties of 3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 318.38 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 14100173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).