4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine

C7H11N5 — CID 126593221

IUPAC4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine
SMILESC=CNC1=C(N)C(=C)NC(N)=N1
InChIInChI=1S/C7H11N5/c1-3-10-6-5(8)4(2)11-7(9)12-6/h3,10H,1-2,8H2,(H3,9,11,12)
InChIKeySRNIQBXDUWZGCI-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.72
Rot. Bonds2

About 4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine

4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine (PubChem CID 126593221) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine
PubChem CID126593221
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine
SMILESC=CNC1=C(N)C(=C)NC(N)=N1
InChIInChI=1S/C7H11N5/c1-3-10-6-5(8)4(2)11-7(9)12-6/h3,10H,1-2,8H2,(H3,9,11,12)
InChIKeySRNIQBXDUWZGCI-UHFFFAOYSA-N
XLogP-0.72
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine?
The IUPAC name of 4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine (CID 126593221) is 4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine.
What is the SMILES notation for 4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine?
The canonical SMILES for 4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine is C=CNC1=C(N)C(=C)NC(N)=N1.
What is the InChIKey of 4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine?
The InChIKey is SRNIQBXDUWZGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-3-10-6-5(8)4(2)11-7(9)12-6/h3,10H,1-2,8H2,(H3,9,11,12).
What are the key properties of 4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine?
4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine has a molecular weight of 165.20 g/mol, XLogP of -0.72, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine is sourced from PubChem (CID 126593221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).