4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile

C10H12N4 — CID 130541128

IUPAC4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile
SMILESCC(C)=CCNc1ncncc1C#N
InChIInChI=1S/C10H12N4/c1-8(2)3-4-13-10-9(5-11)6-12-7-14-10/h3,6-7H,4H2,1-2H3,(H,12,13,14)
InChIKeyBEKRJXBSQDBFSY-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.73
Rot. Bonds3

About 4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile

4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile (PubChem CID 130541128) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile
PubChem CID130541128
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile
SMILESCC(C)=CCNc1ncncc1C#N
InChIInChI=1S/C10H12N4/c1-8(2)3-4-13-10-9(5-11)6-12-7-14-10/h3,6-7H,4H2,1-2H3,(H,12,13,14)
InChIKeyBEKRJXBSQDBFSY-UHFFFAOYSA-N
XLogP1.73
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.73
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

2-[(5-cyanopyrimidin-4-yl)amino]acetic acid
CID 130541021
4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile
CID 130541106
2-[[(5-cyanopyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 112755018
4-[2-(2-hydroxyethyl)pentylamino]pyrimidine-5-carbonitrile
CID 112755216
2-(3-methylbut-2-enylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103525261
7-[(5-cyanopyrimidin-4-yl)amino]heptanoic acid
CID 112754997
4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
CID 112755989
4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carbonitrile
CID 166241080
2-fluoro-4-(3-methylbut-2-enylamino)benzonitrile
CID 106188986
6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine
CID 106182340
2-fluoro-5-(3-methylbut-2-enylamino)benzonitrile
CID 107899874
2-chloro-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine
CID 106182395

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile (CID 130541128) is 4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile is CC(C)=CCNc1ncncc1C#N.
What is the InChIKey of 4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile?
The InChIKey is BEKRJXBSQDBFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8(2)3-4-13-10-9(5-11)6-12-7-14-10/h3,6-7H,4H2,1-2H3,(H,12,13,14).
What are the key properties of 4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile?
4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 130541128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).