N-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide

C13H15N5O2 — CID 135424204

IUPACN-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)N(Cc1ccccc1)c1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C13H15N5O2/c1-8(19)18(7-9-5-3-2-4-6-9)10-11(14)16-13(15)17-12(10)20/h2-6H,7H2,1H3,(H5,14,15,16,17,20)
InChIKeyDUXAUWXELFYNRE-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.49
Rot. Bonds3

About N-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide

N-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 135424204) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID135424204
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)N(Cc1ccccc1)c1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C13H15N5O2/c1-8(19)18(7-9-5-3-2-4-6-9)10-11(14)16-13(15)17-12(10)20/h2-6H,7H2,1H3,(H5,14,15,16,17,20)
InChIKeyDUXAUWXELFYNRE-UHFFFAOYSA-N
XLogP0.49
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 135424204) is N-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide is CC(=O)N(Cc1ccccc1)c1c(N)nc(N)[nH]c1=O.
What is the InChIKey of N-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is DUXAUWXELFYNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8(19)18(7-9-5-3-2-4-6-9)10-11(14)16-13(15)17-12(10)20/h2-6H,7H2,1H3,(H5,14,15,16,17,20).
What are the key properties of N-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 273.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 135424204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).