2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide

C8H13N5O — CID 80787810

IUPAC2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1ccnc(N)n1
InChIInChI=1S/C8H13N5O/c1-2-10-7(14)5-12-6-3-4-11-8(9)13-6/h3-4H,2,5H2,1H3,(H,10,14)(H3,9,11,12,13)
InChIKeyIVLHNANGKWSKQI-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.39
Rot. Bonds4

About 2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide

2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide (PubChem CID 80787810) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide
PubChem CID80787810
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1ccnc(N)n1
InChIInChI=1S/C8H13N5O/c1-2-10-7(14)5-12-6-3-4-11-8(9)13-6/h3-4H,2,5H2,1H3,(H,10,14)(H3,9,11,12,13)
InChIKeyIVLHNANGKWSKQI-UHFFFAOYSA-N
XLogP-0.39
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide (CID 80787810) is 2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide is CCNC(=O)CNc1ccnc(N)n1.
What is the InChIKey of 2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide?
The InChIKey is IVLHNANGKWSKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-2-10-7(14)5-12-6-3-4-11-8(9)13-6/h3-4H,2,5H2,1H3,(H,10,14)(H3,9,11,12,13).
What are the key properties of 2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide?
2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide has a molecular weight of 195.23 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide is sourced from PubChem (CID 80787810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).