5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide

C13H23N5O3 — CID 106238995

IUPAC5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
SMILESCCCCn1c(N)c(NCCCCC(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C13H23N5O3/c1-2-3-8-18-11(15)10(12(20)17-13(18)21)16-7-5-4-6-9(14)19/h16H,2-8,15H2,1H3,(H2,14,19)(H,17,20,21)
InChIKeyCLQXGIWUNKZAHN-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.01
Rot. Bonds9

About 5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide

5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide (PubChem CID 106238995) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
PubChem CID106238995
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
SMILESCCCCn1c(N)c(NCCCCC(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C13H23N5O3/c1-2-3-8-18-11(15)10(12(20)17-13(18)21)16-7-5-4-6-9(14)19/h16H,2-8,15H2,1H3,(H2,14,19)(H,17,20,21)
InChIKeyCLQXGIWUNKZAHN-UHFFFAOYSA-N
XLogP-0.01
TPSA136.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate
CID 60661545
6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione
CID 104925628
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide
CID 54933396
6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione
CID 61169718
6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethylacetamide
CID 60661495
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide
CID 60702032
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-1-butyl-5-[(2-hydroxy-2-methylbutyl)amino]pyrimidine-2,4-dione
CID 62947582

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide?
The IUPAC name of 5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide (CID 106238995) is 5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide.
What is the SMILES notation for 5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide?
The canonical SMILES for 5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide is CCCCn1c(N)c(NCCCCC(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide?
The InChIKey is CLQXGIWUNKZAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-2-3-8-18-11(15)10(12(20)17-13(18)21)16-7-5-4-6-9(14)19/h16H,2-8,15H2,1H3,(H2,14,19)(H,17,20,21).
What are the key properties of 5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide?
5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide has a molecular weight of 297.36 g/mol, XLogP of -0.01, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide is sourced from PubChem (CID 106238995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).