2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide

C10H17N5O2 — CID 114133405

IUPAC2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ncnc(N)c1OC
InChIInChI=1S/C10H17N5O2/c1-4-15(2)7(16)5-12-10-8(17-3)9(11)13-6-14-10/h6H,4-5H2,1-3H3,(H3,11,12,13,14)
InChIKeyZKICFKQBIPROMH-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.04
Rot. Bonds5

About 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide

2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide (PubChem CID 114133405) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
PubChem CID114133405
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ncnc(N)c1OC
InChIInChI=1S/C10H17N5O2/c1-4-15(2)7(16)5-12-10-8(17-3)9(11)13-6-14-10/h6H,4-5H2,1-3H3,(H3,11,12,13,14)
InChIKeyZKICFKQBIPROMH-UHFFFAOYSA-N
XLogP-0.04
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide (CID 114133405) is 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNc1ncnc(N)c1OC.
What is the InChIKey of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is ZKICFKQBIPROMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-4-15(2)7(16)5-12-10-8(17-3)9(11)13-6-14-10/h6H,4-5H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide has a molecular weight of 239.28 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 114133405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).