4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile

C10H13N5OS — CID 12662939

IUPAC4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(N2CCOCC2)nc(N)c1C#N
InChIInChI=1S/C10H13N5OS/c1-17-9-7(6-11)8(12)13-10(14-9)15-2-4-16-5-3-15/h2-5H2,1H3,(H2,12,13,14)
InChIKeyQIYQACZEEYGHHW-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.49
Rot. Bonds2

About 4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile

4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile (PubChem CID 12662939) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile
PubChem CID12662939
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(N2CCOCC2)nc(N)c1C#N
InChIInChI=1S/C10H13N5OS/c1-17-9-7(6-11)8(12)13-10(14-9)15-2-4-16-5-3-15/h2-5H2,1H3,(H2,12,13,14)
InChIKeyQIYQACZEEYGHHW-UHFFFAOYSA-N
XLogP0.49
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-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

2-Amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile
CID 15744710
2-Amino-4-(methylsulfanyl)-6-{[2-(4-morpholinyl)ethyl]sulfanyl}-5-pyrimidinecarbonitrile
CID 1717750
4-Amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 10586632
4-Amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile
CID 11130177
4-Amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile
CID 21285554
4-Chloro-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 21822253
2,4-Diamino-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 71004858
N-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine
CID 130242130
2-(2-Chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde
CID 130253081
5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine
CID 139398081
2-Methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 139881638
2-(5-Cyano-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide
CID 140150975

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile (CID 12662939) is 4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile is CSc1nc(N2CCOCC2)nc(N)c1C#N.
What is the InChIKey of 4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile?
The InChIKey is QIYQACZEEYGHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-17-9-7(6-11)8(12)13-10(14-9)15-2-4-16-5-3-15/h2-5H2,1H3,(H2,12,13,14).
What are the key properties of 4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile?
4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile has a molecular weight of 251.31 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 12662939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).