4-ethoxypyrimidine-2,5-diamine

C6H10N4O — CID 119098064

IUPAC4-ethoxypyrimidine-2,5-diamine
SMILESCCOc1nc(N)ncc1N
InChIInChI=1S/C6H10N4O/c1-2-11-5-4(7)3-9-6(8)10-5/h3H,2,7H2,1H3,(H2,8,9,10)
InChIKeyBHCDXFWIVUSHDN-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.04
Rot. Bonds2

About 4-ethoxypyrimidine-2,5-diamine

4-ethoxypyrimidine-2,5-diamine (PubChem CID 119098064) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-ethoxypyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-ethoxypyrimidine-2,5-diamine
PubChem CID119098064
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name4-ethoxypyrimidine-2,5-diamine
SMILESCCOc1nc(N)ncc1N
InChIInChI=1S/C6H10N4O/c1-2-11-5-4(7)3-9-6(8)10-5/h3H,2,7H2,1H3,(H2,8,9,10)
InChIKeyBHCDXFWIVUSHDN-UHFFFAOYSA-N
XLogP0.04
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxypyrimidine-2,5-diamine?
The IUPAC name of 4-ethoxypyrimidine-2,5-diamine (CID 119098064) is 4-ethoxypyrimidine-2,5-diamine.
What is the SMILES notation for 4-ethoxypyrimidine-2,5-diamine?
The canonical SMILES for 4-ethoxypyrimidine-2,5-diamine is CCOc1nc(N)ncc1N.
What is the InChIKey of 4-ethoxypyrimidine-2,5-diamine?
The InChIKey is BHCDXFWIVUSHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-11-5-4(7)3-9-6(8)10-5/h3H,2,7H2,1H3,(H2,8,9,10).
What are the key properties of 4-ethoxypyrimidine-2,5-diamine?
4-ethoxypyrimidine-2,5-diamine has a molecular weight of 154.17 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxypyrimidine-2,5-diamine is sourced from PubChem (CID 119098064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).