(E)-1-pyrimidin-2-ylethene-1,2-diamine

C6H8N4 — CID 134479483

IUPAC(E)-1-pyrimidin-2-ylethene-1,2-diamine
SMILESN/C=C(/N)c1ncccn1
InChIInChI=1S/C6H8N4/c7-4-5(8)6-9-2-1-3-10-6/h1-4H,7-8H2/b5-4+
InChIKeyCHRSXGAEYFPFOW-SNAWJCMRSA-N
MW136.16 g/mol
LogP-0.31
Rot. Bonds1

About (E)-1-pyrimidin-2-ylethene-1,2-diamine

(E)-1-pyrimidin-2-ylethene-1,2-diamine (PubChem CID 134479483) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is (E)-1-pyrimidin-2-ylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-pyrimidin-2-ylethene-1,2-diamine
PubChem CID134479483
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name(E)-1-pyrimidin-2-ylethene-1,2-diamine
SMILESN/C=C(/N)c1ncccn1
InChIInChI=1S/C6H8N4/c7-4-5(8)6-9-2-1-3-10-6/h1-4H,7-8H2/b5-4+
InChIKeyCHRSXGAEYFPFOW-SNAWJCMRSA-N
XLogP-0.31
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-1-pyrimidin-2-ylethene-1,2-diamine?
The IUPAC name of (E)-1-pyrimidin-2-ylethene-1,2-diamine (CID 134479483) is (E)-1-pyrimidin-2-ylethene-1,2-diamine.
What is the SMILES notation for (E)-1-pyrimidin-2-ylethene-1,2-diamine?
The canonical SMILES for (E)-1-pyrimidin-2-ylethene-1,2-diamine is N/C=C(/N)c1ncccn1.
What is the InChIKey of (E)-1-pyrimidin-2-ylethene-1,2-diamine?
The InChIKey is CHRSXGAEYFPFOW-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H8N4/c7-4-5(8)6-9-2-1-3-10-6/h1-4H,7-8H2/b5-4+.
What are the key properties of (E)-1-pyrimidin-2-ylethene-1,2-diamine?
(E)-1-pyrimidin-2-ylethene-1,2-diamine has a molecular weight of 136.16 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-pyrimidin-2-ylethene-1,2-diamine is sourced from PubChem (CID 134479483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).