4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide

C8H12N4O2 — CID 136956166

IUPAC4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESNC(=O)CCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N4O2/c9-6(13)2-1-3-10-7-4-8(14)12-5-11-7/h4-5H,1-3H2,(H2,9,13)(H2,10,11,12,14)
InChIKeyKEBOOOSKMITAGB-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.55
Rot. Bonds5

About 4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide

4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide (PubChem CID 136956166) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
PubChem CID136956166
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESNC(=O)CCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N4O2/c9-6(13)2-1-3-10-7-4-8(14)12-5-11-7/h4-5H,1-3H2,(H2,9,13)(H2,10,11,12,14)
InChIKeyKEBOOOSKMITAGB-UHFFFAOYSA-N
XLogP-0.55
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957051
1-(4-amino-6-oxo-1H-pyrimidin-2-yl)-3-butylurea
CID 136062932
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-amino-2-(butylamino)-1H-pyrimidin-6-one
CID 135927913
3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136671881
4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689852
4-(6-aminohexylamino)-1H-pyrimidin-6-one
CID 136755771

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The IUPAC name of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide (CID 136956166) is 4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide is NC(=O)CCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The InChIKey is KEBOOOSKMITAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-6(13)2-1-3-10-7-4-8(14)12-5-11-7/h4-5H,1-3H2,(H2,9,13)(H2,10,11,12,14).
What are the key properties of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide has a molecular weight of 196.21 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 136956166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).