4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile

C10H14N4S — CID 100775741

IUPAC4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile
SMILESCCCSc1nc(N)c(C#N)c(CC)n1
InChIInChI=1S/C10H14N4S/c1-3-5-15-10-13-8(4-2)7(6-11)9(12)14-10/h3-5H2,1-2H3,(H2,12,13,14)
InChIKeyBAOIIIRUKZFDOP-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.99
Rot. Bonds4

About 4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile

4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile (PubChem CID 100775741) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile
PubChem CID100775741
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile
SMILESCCCSc1nc(N)c(C#N)c(CC)n1
InChIInChI=1S/C10H14N4S/c1-3-5-15-10-13-8(4-2)7(6-11)9(12)14-10/h3-5H2,1-2H3,(H2,12,13,14)
InChIKeyBAOIIIRUKZFDOP-UHFFFAOYSA-N
XLogP1.99
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile 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

4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile
CID 100775975
4-amino-2-benzylsulfanyl-6-propylpyrimidine-5-carbonitrile
CID 100775845
4-amino-2-[(2R)-butan-2-yl]sulfanyl-6-butylpyrimidine-5-carbonitrile
CID 100775997
5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine
CID 144950117
3-propylsulfanyl-2,4,7,8-tetrazabicyclo[4.2.0]octa-1,3,5,7-tetraen-5-amine
CID 123231335
6-methyl-2-propylsulfanylpyrimidine-4-carbonitrile
CID 107551361
4-amino-2-[(4-cyanophenyl)methylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile
CID 15370313
4-amino-2,5-dichloro-6-propylsulfanylbenzene-1,3-dicarbonitrile
CID 71580502
4-amino-2-methyl-6-(sulfanylmethyl)pyrimidine-5-carbonitrile
CID 57237902
6-[(3,4-difluorophenyl)methyl]-2-propylsulfanylpyrimidine-4,5-diamine
CID 161234449
2-propylsulfanyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,5-diamine
CID 145185559
4,5,6-trimethyl-2-propylsulfanylpyrimidine
CID 90393527

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile (CID 100775741) is 4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile is CCCSc1nc(N)c(C#N)c(CC)n1.
What is the InChIKey of 4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is BAOIIIRUKZFDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-3-5-15-10-13-8(4-2)7(6-11)9(12)14-10/h3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile?
4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 222.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 100775741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).