6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine

C9H12N4 — CID 90136224

IUPAC6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine
SMILESC=CCNc1ncnc(C=C)c1N
InChIInChI=1S/C9H12N4/c1-3-5-11-9-8(10)7(4-2)12-6-13-9/h3-4,6H,1-2,5,10H2,(H,11,12,13)
InChIKeyYTSPEZSFSXCQJQ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.30
Rot. Bonds4

About 6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine

6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine (PubChem CID 90136224) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine
PubChem CID90136224
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine
SMILESC=CCNc1ncnc(C=C)c1N
InChIInChI=1S/C9H12N4/c1-3-5-11-9-8(10)7(4-2)12-6-13-9/h3-4,6H,1-2,5,10H2,(H,11,12,13)
InChIKeyYTSPEZSFSXCQJQ-UHFFFAOYSA-N
XLogP1.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine?
The IUPAC name of 6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine (CID 90136224) is 6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine?
The canonical SMILES for 6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine is C=CCNc1ncnc(C=C)c1N.
What is the InChIKey of 6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine?
The InChIKey is YTSPEZSFSXCQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-3-5-11-9-8(10)7(4-2)12-6-13-9/h3-4,6H,1-2,5,10H2,(H,11,12,13).
What are the key properties of 6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine?
6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine has a molecular weight of 176.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine is sourced from PubChem (CID 90136224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).