2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile

C9H10N4 — CID 107545233

IUPAC2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile
SMILESC=CC(C)Nc1nccc(C#N)n1
InChIInChI=1S/C9H10N4/c1-3-7(2)12-9-11-5-4-8(6-10)13-9/h3-5,7H,1H2,2H3,(H,11,12,13)
InChIKeyUWSSPMHLXXCVIE-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.33
Rot. Bonds3

About 2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile

2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile (PubChem CID 107545233) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile
PubChem CID107545233
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile
SMILESC=CC(C)Nc1nccc(C#N)n1
InChIInChI=1S/C9H10N4/c1-3-7(2)12-9-11-5-4-8(6-10)13-9/h3-5,7H,1H2,2H3,(H,11,12,13)
InChIKeyUWSSPMHLXXCVIE-UHFFFAOYSA-N
XLogP1.33
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-en-2-yl-4-methylpyrimidin-2-amine
CID 115691968
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545092
3-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 107542834
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile
CID 107543934
(2S)-2-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 167798650
2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile
CID 107552672
2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile
CID 107544637
2-[(5-hydroxy-4-methylpentyl)amino]pyrimidine-4-carbonitrile
CID 106158675
2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile
CID 107543299
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile
CID 106185915

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile (CID 107545233) is 2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile is C=CC(C)Nc1nccc(C#N)n1.
What is the InChIKey of 2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile?
The InChIKey is UWSSPMHLXXCVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-3-7(2)12-9-11-5-4-8(6-10)13-9/h3-5,7H,1H2,2H3,(H,11,12,13).
What are the key properties of 2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile?
2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile has a molecular weight of 174.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).