2-N-ethenylpyrimidine-2,5-diamine

C6H8N4 — CID 6917251

IUPAC2-N-ethenylpyrimidine-2,5-diamine
SMILESC=CNc1ncc(N)cn1
InChIInChI=1S/C6H8N4/c1-2-8-6-9-3-5(7)4-10-6/h2-4H,1,7H2,(H,8,9,10)
InChIKeyZSKCMWPLOBYGOX-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.61
Rot. Bonds2

About 2-N-ethenylpyrimidine-2,5-diamine

2-N-ethenylpyrimidine-2,5-diamine (PubChem CID 6917251) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 2-N-ethenylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-ethenylpyrimidine-2,5-diamine
PubChem CID6917251
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name2-N-ethenylpyrimidine-2,5-diamine
SMILESC=CNc1ncc(N)cn1
InChIInChI=1S/C6H8N4/c1-2-8-6-9-3-5(7)4-10-6/h2-4H,1,7H2,(H,8,9,10)
InChIKeyZSKCMWPLOBYGOX-UHFFFAOYSA-N
XLogP0.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethenylpyrimidine-2,5-diamine?
The IUPAC name of 2-N-ethenylpyrimidine-2,5-diamine (CID 6917251) is 2-N-ethenylpyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-ethenylpyrimidine-2,5-diamine?
The canonical SMILES for 2-N-ethenylpyrimidine-2,5-diamine is C=CNc1ncc(N)cn1.
What is the InChIKey of 2-N-ethenylpyrimidine-2,5-diamine?
The InChIKey is ZSKCMWPLOBYGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-2-8-6-9-3-5(7)4-10-6/h2-4H,1,7H2,(H,8,9,10).
What are the key properties of 2-N-ethenylpyrimidine-2,5-diamine?
2-N-ethenylpyrimidine-2,5-diamine has a molecular weight of 136.16 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethenylpyrimidine-2,5-diamine is sourced from PubChem (CID 6917251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).