2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine

C10H16N4OS — CID 45228366

IUPAC2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1nccc(NCC2CNCCO2)n1
InChIInChI=1S/C10H16N4OS/c1-16-10-12-3-2-9(14-10)13-7-8-6-11-4-5-15-8/h2-3,8,11H,4-7H2,1H3,(H,12,13,14)
InChIKeyQEQANSFVUWYGLW-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.60
Rot. Bonds4

About 2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine

2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 45228366) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine
PubChem CID45228366
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1nccc(NCC2CNCCO2)n1
InChIInChI=1S/C10H16N4OS/c1-16-10-12-3-2-9(14-10)13-7-8-6-11-4-5-15-8/h2-3,8,11H,4-7H2,1H3,(H,12,13,14)
InChIKeyQEQANSFVUWYGLW-UHFFFAOYSA-N
XLogP0.60
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine (CID 45228366) is 2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine is CSc1nccc(NCC2CNCCO2)n1.
What is the InChIKey of 2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is QEQANSFVUWYGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-16-10-12-3-2-9(14-10)13-7-8-6-11-4-5-15-8/h2-3,8,11H,4-7H2,1H3,(H,12,13,14).
What are the key properties of 2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine?
2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 240.33 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(morpholin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 45228366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).