5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one

C8H11N5O2 — CID 146684613

IUPAC5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one
SMILESCC(=O)N1CCNc2nc(N)[nH]c(=O)c21
InChIInChI=1S/C8H11N5O2/c1-4(14)13-3-2-10-6-5(13)7(15)12-8(9)11-6/h2-3H2,1H3,(H4,9,10,11,12,15)
InChIKeyNDNAHULSYWHFNS-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.87
Rot. Bonds

About 5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one

5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one (PubChem CID 146684613) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one
PubChem CID146684613
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one
SMILESCC(=O)N1CCNc2nc(N)[nH]c(=O)c21
InChIInChI=1S/C8H11N5O2/c1-4(14)13-3-2-10-6-5(13)7(15)12-8(9)11-6/h2-3H2,1H3,(H4,9,10,11,12,15)
InChIKeyNDNAHULSYWHFNS-UHFFFAOYSA-N
XLogP-0.87
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one?
The IUPAC name of 5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one (CID 146684613) is 5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one.
What is the SMILES notation for 5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one?
The canonical SMILES for 5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one is CC(=O)N1CCNc2nc(N)[nH]c(=O)c21.
What is the InChIKey of 5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one?
The InChIKey is NDNAHULSYWHFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-4(14)13-3-2-10-6-5(13)7(15)12-8(9)11-6/h2-3H2,1H3,(H4,9,10,11,12,15).
What are the key properties of 5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one?
5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one has a molecular weight of 209.21 g/mol, XLogP of -0.87, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-amino-3,6,7,8-tetrahydropteridin-4-one is sourced from PubChem (CID 146684613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).