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

C9H14N4O2 — CID 135802459

IUPACN-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide
SMILESCCCCC(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c1-2-3-4-6(14)13-7-8(10)11-5-12-9(7)15/h5H,2-4H2,1H3,(H,13,14)(H3,10,11,12,15)
InChIKeyWYUIZBFZNXUFEU-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.48
Rot. Bonds4

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

N-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide (PubChem CID 135802459) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide.

Molecular Properties

Compound NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide
PubChem CID135802459
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide
SMILESCCCCC(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c1-2-3-4-6(14)13-7-8(10)11-5-12-9(7)15/h5H,2-4H2,1H3,(H,13,14)(H3,10,11,12,15)
InChIKeyWYUIZBFZNXUFEU-UHFFFAOYSA-N
XLogP0.48
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.48
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)pentanamide?
The IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide (CID 135802459) is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide.
What is the SMILES notation for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide?
The canonical SMILES for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide is CCCCC(=O)Nc1c(N)nc[nH]c1=O.
What is the InChIKey of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide?
The InChIKey is WYUIZBFZNXUFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-3-4-6(14)13-7-8(10)11-5-12-9(7)15/h5H,2-4H2,1H3,(H,13,14)(H3,10,11,12,15).
What are the key properties of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide?
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide has a molecular weight of 210.24 g/mol, XLogP of 0.48, 4 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)pentanamide is sourced from PubChem (CID 135802459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).