2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide

C10H15N5O — CID 68572777

IUPAC2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1CC=NC2=CNC=NC21
InChIInChI=1S/C10H15N5O/c1-2-12-9(16)6-15-4-3-13-8-5-11-7-14-10(8)15/h3,5,7,10H,2,4,6H2,1H3,(H,11,14)(H,12,16)
InChIKeyZKHVCOXIIMKGNP-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.69
Rot. Bonds3

About 2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide

2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide (PubChem CID 68572777) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide
PubChem CID68572777
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1CC=NC2=CNC=NC21
InChIInChI=1S/C10H15N5O/c1-2-12-9(16)6-15-4-3-13-8-5-11-7-14-10(8)15/h3,5,7,10H,2,4,6H2,1H3,(H,11,14)(H,12,16)
InChIKeyZKHVCOXIIMKGNP-UHFFFAOYSA-N
XLogP-0.69
TPSA69.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide?
The IUPAC name of 2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide (CID 68572777) is 2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide?
The canonical SMILES for 2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide is CCNC(=O)CN1CC=NC2=CNC=NC21.
What is the InChIKey of 2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide?
The InChIKey is ZKHVCOXIIMKGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-12-9(16)6-15-4-3-13-8-5-11-7-14-10(8)15/h3,5,7,10H,2,4,6H2,1H3,(H,11,14)(H,12,16).
What are the key properties of 2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide?
2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide has a molecular weight of 221.26 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide is sourced from PubChem (CID 68572777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).