6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione

C15H20N4O2 — CID 3828480

IUPAC6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione
SMILESCCCCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O2/c1-2-3-9-17-12-13(16)19(15(21)18-14(12)20)10-11-7-5-4-6-8-11/h4-8,17H,2-3,9-10,16H2,1H3,(H,18,20,21)
InChIKeyGVZZVBJHHDAYPH-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.38
Rot. Bonds6

About 6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione

6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione (PubChem CID 3828480) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione
PubChem CID3828480
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione
SMILESCCCCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O2/c1-2-3-9-17-12-13(16)19(15(21)18-14(12)20)10-11-7-5-4-6-8-11/h4-8,17H,2-3,9-10,16H2,1H3,(H,18,20,21)
InChIKeyGVZZVBJHHDAYPH-UHFFFAOYSA-N
XLogP1.38
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione
CID 2344558
6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione
CID 726225
6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione
CID 115637277
6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione
CID 115571526
6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione
CID 114106337
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(butylcarbamoyl)acetamide
CID 55478282
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354
5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
CID 106238995
6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236
6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione
CID 78911038

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione (CID 3828480) is 6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione is CCCCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione?
The InChIKey is GVZZVBJHHDAYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-3-9-17-12-13(16)19(15(21)18-14(12)20)10-11-7-5-4-6-8-11/h4-8,17H,2-3,9-10,16H2,1H3,(H,18,20,21).
What are the key properties of 6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione?
6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 3828480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).