2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine

C9H14N4OS — CID 10036647

IUPAC2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCOCC2)n1
InChIInChI=1S/C9H14N4OS/c1-15-9-11-7(10)6-8(12-9)13-2-4-14-5-3-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyBBBKIKSBNJXVPV-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.62
Rot. Bonds2

About 2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine

2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 10036647) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID10036647
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCOCC2)n1
InChIInChI=1S/C9H14N4OS/c1-15-9-11-7(10)6-8(12-9)13-2-4-14-5-3-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyBBBKIKSBNJXVPV-UHFFFAOYSA-N
XLogP0.62
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine (CID 10036647) is 2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine is CSc1nc(N)cc(N2CCOCC2)n1.
What is the InChIKey of 2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is BBBKIKSBNJXVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-15-9-11-7(10)6-8(12-9)13-2-4-14-5-3-13/h6H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine?
2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 226.30 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 10036647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).