N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide

C8H12N4O2 — CID 135802456

IUPACN-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide
SMILESCCCC(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C8H12N4O2/c1-2-3-5(13)12-6-7(9)10-4-11-8(6)14/h4H,2-3H2,1H3,(H,12,13)(H3,9,10,11,14)
InChIKeyOMUYXTZKHCFYRR-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.09
Rot. Bonds3

About N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide

N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide (PubChem CID 135802456) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide.

Molecular Properties

Compound NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide
PubChem CID135802456
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide
SMILESCCCC(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C8H12N4O2/c1-2-3-5(13)12-6-7(9)10-4-11-8(6)14/h4H,2-3H2,1H3,(H,12,13)(H3,9,10,11,14)
InChIKeyOMUYXTZKHCFYRR-UHFFFAOYSA-N
XLogP0.09
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide?
The IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide (CID 135802456) is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide.
What is the SMILES notation for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide?
The canonical SMILES for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide is CCCC(=O)Nc1c(N)nc[nH]c1=O.
What is the InChIKey of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide?
The InChIKey is OMUYXTZKHCFYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-3-5(13)12-6-7(9)10-4-11-8(6)14/h4H,2-3H2,1H3,(H,12,13)(H3,9,10,11,14).
What are the key properties of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide?
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide has a molecular weight of 196.21 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide is sourced from PubChem (CID 135802456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).