5-but-2-en-2-ylpyrimidin-2-amine

C8H11N3 — CID 123509421

IUPAC5-but-2-en-2-ylpyrimidin-2-amine
SMILESCC=C(C)c1cnc(N)nc1
InChIInChI=1S/C8H11N3/c1-3-6(2)7-4-10-8(9)11-5-7/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyBGMSGIUWZCQMEY-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.48
Rot. Bonds1

About 5-but-2-en-2-ylpyrimidin-2-amine

5-but-2-en-2-ylpyrimidin-2-amine (PubChem CID 123509421) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5-but-2-en-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-but-2-en-2-ylpyrimidin-2-amine
PubChem CID123509421
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5-but-2-en-2-ylpyrimidin-2-amine
SMILESCC=C(C)c1cnc(N)nc1
InChIInChI=1S/C8H11N3/c1-3-6(2)7-4-10-8(9)11-5-7/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyBGMSGIUWZCQMEY-UHFFFAOYSA-N
XLogP1.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-but-2-en-2-ylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Simpinicline
CID 11528435
2-[(2E,4E,6E)-7-[2-(dimethylamino)pyrimidin-5-yl]hepta-2,4,6-trienylidene]propanedinitrile
CID 168296445
5-Ethenylpyrimidin-2-amine
CID 13640878
5-(Propan-2-yl)pyrimidin-2-amine
CID 20823899
5-Ethylpyrimidin-2-amine
CID 23131355
2-(Pyrimidin-5-yl)ethan-1-amine
CID 27281450
2-Chloro-5-(prop-1-en-2-yl)pyrimidine
CID 58485316
5-Ethyl-N-methyl-2-pyrimidinamine
CID 23423798
5-Propa-1,2-dienylpyrimidine
CID 11217247
N,N-dimethyl-5-vinylpyrimidin-2-amine
CID 13640879
5-Ethylpyrimidine
CID 14434921
5-ethyl-N-methylpyrimidin-4-amine
CID 45080324

Frequently Asked Questions

What is the IUPAC name of 5-but-2-en-2-ylpyrimidin-2-amine?
The IUPAC name of 5-but-2-en-2-ylpyrimidin-2-amine (CID 123509421) is 5-but-2-en-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-but-2-en-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-but-2-en-2-ylpyrimidin-2-amine is CC=C(C)c1cnc(N)nc1.
What is the InChIKey of 5-but-2-en-2-ylpyrimidin-2-amine?
The InChIKey is BGMSGIUWZCQMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-6(2)7-4-10-8(9)11-5-7/h3-5H,1-2H3,(H2,9,10,11).
What are the key properties of 5-but-2-en-2-ylpyrimidin-2-amine?
5-but-2-en-2-ylpyrimidin-2-amine has a molecular weight of 149.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-en-2-ylpyrimidin-2-amine is sourced from PubChem (CID 123509421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).