5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile

C12H12N4S — CID 80945273

IUPAC5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile
SMILESCCCc1nc(N)cc(-c2ccc(C#N)s2)n1
InChIInChI=1S/C12H12N4S/c1-2-3-12-15-9(6-11(14)16-12)10-5-4-8(7-13)17-10/h4-6H,2-3H2,1H3,(H2,14,15,16)
InChIKeyAGTYQNSMXNECGG-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.61
Rot. Bonds3

About 5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile

5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile (PubChem CID 80945273) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile
PubChem CID80945273
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile
SMILESCCCc1nc(N)cc(-c2ccc(C#N)s2)n1
InChIInChI=1S/C12H12N4S/c1-2-3-12-15-9(6-11(14)16-12)10-5-4-8(7-13)17-10/h4-6H,2-3H2,1H3,(H2,14,15,16)
InChIKeyAGTYQNSMXNECGG-UHFFFAOYSA-N
XLogP2.61
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile
CID 80974727
2-propylpyrimidine-4,6-diamine
CID 67304918
6-(1-methylpyrazol-3-yl)-2-propylpyrimidin-4-amine
CID 103132092
6-(2,5-dimethylphenyl)-2-propylpyrimidin-4-amine
CID 80945175
6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine
CID 80945275
3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662566
6-(6-methyl-3-pyridinyl)-2-propylpyrimidin-4-amine
CID 80946075
2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile
CID 80945825
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine
CID 80946171
N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
CID 80945811
5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
CID 11500375
6-(2,4-dimethoxyphenyl)-2-propylpyrimidin-4-amine
CID 80946280

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile?
The IUPAC name of 5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile (CID 80945273) is 5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile is CCCc1nc(N)cc(-c2ccc(C#N)s2)n1.
What is the InChIKey of 5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile?
The InChIKey is AGTYQNSMXNECGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-2-3-12-15-9(6-11(14)16-12)10-5-4-8(7-13)17-10/h4-6H,2-3H2,1H3,(H2,14,15,16).
What are the key properties of 5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile?
5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 80945273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).