4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile

C12H18N6OS — CID 11130177

IUPAC4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile
SMILESCSc1nc(NCCN2CCOCC2)nc(N)c1C#N
InChIInChI=1S/C12H18N6OS/c1-20-11-9(8-13)10(14)16-12(17-11)15-2-3-18-4-6-19-7-5-18/h2-7H2,1H3,(H3,14,15,16,17)
InChIKeyHSNJNQFOYMTDHX-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.40
Rot. Bonds5

About 4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile

4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile (PubChem CID 11130177) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile
PubChem CID11130177
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile
SMILESCSc1nc(NCCN2CCOCC2)nc(N)c1C#N
InChIInChI=1S/C12H18N6OS/c1-20-11-9(8-13)10(14)16-12(17-11)15-2-3-18-4-6-19-7-5-18/h2-7H2,1H3,(H3,14,15,16,17)
InChIKeyHSNJNQFOYMTDHX-UHFFFAOYSA-N
XLogP0.40
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile (CID 11130177) is 4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile is CSc1nc(NCCN2CCOCC2)nc(N)c1C#N.
What is the InChIKey of 4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile?
The InChIKey is HSNJNQFOYMTDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-20-11-9(8-13)10(14)16-12(17-11)15-2-3-18-4-6-19-7-5-18/h2-7H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile?
4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile has a molecular weight of 294.38 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methylsulfanyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 11130177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).