4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide

C9H15N5O3 — CID 54933396

IUPAC4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide
SMILESCn1c(N)c(NCCCC(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N5O3/c1-14-7(11)6(8(16)13-9(14)17)12-4-2-3-5(10)15/h12H,2-4,11H2,1H3,(H2,10,15)(H,13,16,17)
InChIKeyTVPVTLHPWYCXMJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.67
Rot. Bonds5

About 4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide

4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide (PubChem CID 54933396) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide
PubChem CID54933396
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide
SMILESCn1c(N)c(NCCCC(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N5O3/c1-14-7(11)6(8(16)13-9(14)17)12-4-2-3-5(10)15/h12H,2-4,11H2,1H3,(H2,10,15)(H,13,16,17)
InChIKeyTVPVTLHPWYCXMJ-UHFFFAOYSA-N
XLogP-1.67
TPSA136.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.67
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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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide?
The IUPAC name of 4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide (CID 54933396) is 4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide.
What is the SMILES notation for 4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide?
The canonical SMILES for 4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide is Cn1c(N)c(NCCCC(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide?
The InChIKey is TVPVTLHPWYCXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-14-7(11)6(8(16)13-9(14)17)12-4-2-3-5(10)15/h12H,2-4,11H2,1H3,(H2,10,15)(H,13,16,17).
What are the key properties of 4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide?
4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide has a molecular weight of 241.25 g/mol, XLogP of -1.67, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide is sourced from PubChem (CID 54933396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).