6-ethylpyrimidine-4,5-diamine

C6H10N4 — CID 55281657

IUPAC6-ethylpyrimidine-4,5-diamine
SMILESCCc1ncnc(N)c1N
InChIInChI=1S/C6H10N4/c1-2-4-5(7)6(8)10-3-9-4/h3H,2,7H2,1H3,(H2,8,9,10)
InChIKeyIBRJFFJMQJSJCO-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.20
Rot. Bonds1

About 6-ethylpyrimidine-4,5-diamine

6-ethylpyrimidine-4,5-diamine (PubChem CID 55281657) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 6-ethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethylpyrimidine-4,5-diamine
PubChem CID55281657
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name6-ethylpyrimidine-4,5-diamine
SMILESCCc1ncnc(N)c1N
InChIInChI=1S/C6H10N4/c1-2-4-5(7)6(8)10-3-9-4/h3H,2,7H2,1H3,(H2,8,9,10)
InChIKeyIBRJFFJMQJSJCO-UHFFFAOYSA-N
XLogP0.20
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylpyrimidine-4,5-diamine?
The IUPAC name of 6-ethylpyrimidine-4,5-diamine (CID 55281657) is 6-ethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-ethylpyrimidine-4,5-diamine is CCc1ncnc(N)c1N.
What is the InChIKey of 6-ethylpyrimidine-4,5-diamine?
The InChIKey is IBRJFFJMQJSJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-4-5(7)6(8)10-3-9-4/h3H,2,7H2,1H3,(H2,8,9,10).
What are the key properties of 6-ethylpyrimidine-4,5-diamine?
6-ethylpyrimidine-4,5-diamine has a molecular weight of 138.17 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylpyrimidine-4,5-diamine is sourced from PubChem (CID 55281657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).