N-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide

C9H9N5O2 — CID 135401454

IUPACN-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide
SMILESCC(=O)Nc1nc2nc(C)cnc2c(=O)[nH]1
InChIInChI=1S/C9H9N5O2/c1-4-3-10-6-7(11-4)13-9(12-5(2)15)14-8(6)16/h3H,1-2H3,(H2,11,12,13,14,15,16)
InChIKeyHFTUOTZUADPCNB-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.02
Rot. Bonds1

About N-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide

N-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide (PubChem CID 135401454) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide
PubChem CID135401454
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC NameN-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide
SMILESCC(=O)Nc1nc2nc(C)cnc2c(=O)[nH]1
InChIInChI=1S/C9H9N5O2/c1-4-3-10-6-7(11-4)13-9(12-5(2)15)14-8(6)16/h3H,1-2H3,(H2,11,12,13,14,15,16)
InChIKeyHFTUOTZUADPCNB-UHFFFAOYSA-N
XLogP-0.02
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide?
The IUPAC name of N-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide (CID 135401454) is N-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide.
What is the SMILES notation for N-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide?
The canonical SMILES for N-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide is CC(=O)Nc1nc2nc(C)cnc2c(=O)[nH]1.
What is the InChIKey of N-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide?
The InChIKey is HFTUOTZUADPCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-4-3-10-6-7(11-4)13-9(12-5(2)15)14-8(6)16/h3H,1-2H3,(H2,11,12,13,14,15,16).
What are the key properties of N-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide?
N-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide has a molecular weight of 219.20 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-4-oxo-3H-pteridin-2-yl)acetamide is sourced from PubChem (CID 135401454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).