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

C12H20N4O2 — CID 135939755

IUPACN-(4-amino-6-oxo-1H-pyrimidin-5-yl)octanamide
SMILESCCCCCCCC(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-2-3-4-5-6-7-9(17)16-10-11(13)14-8-15-12(10)18/h8H,2-7H2,1H3,(H,16,17)(H3,13,14,15,18)
InChIKeyFUSGVCMINIOXIC-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.65
Rot. Bonds7

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

N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octanamide (PubChem CID 135939755) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octanamide.

Molecular Properties

Compound NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)octanamide
PubChem CID135939755
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)octanamide
SMILESCCCCCCCC(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-2-3-4-5-6-7-9(17)16-10-11(13)14-8-15-12(10)18/h8H,2-7H2,1H3,(H,16,17)(H3,13,14,15,18)
InChIKeyFUSGVCMINIOXIC-UHFFFAOYSA-N
XLogP1.65
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octanamide?
The IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octanamide (CID 135939755) is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octanamide.
What is the SMILES notation for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octanamide?
The canonical SMILES for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octanamide is CCCCCCCC(=O)Nc1c(N)nc[nH]c1=O.
What is the InChIKey of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octanamide?
The InChIKey is FUSGVCMINIOXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-3-4-5-6-7-9(17)16-10-11(13)14-8-15-12(10)18/h8H,2-7H2,1H3,(H,16,17)(H3,13,14,15,18).
What are the key properties of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octanamide?
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octanamide has a molecular weight of 252.32 g/mol, XLogP of 1.65, 7 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)octanamide is sourced from PubChem (CID 135939755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).