5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine

C13H16N6OS — CID 67297915

IUPAC5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
SMILESCSc1cnc(-c2cnc(N)nc2)nc1N1CCOCC1
InChIInChI=1S/C13H16N6OS/c1-21-10-8-15-11(9-6-16-13(14)17-7-9)18-12(10)19-2-4-20-5-3-19/h6-8H,2-5H2,1H3,(H2,14,16,17)
InChIKeyQJYBSKBEYIFPRP-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.07
Rot. Bonds3

About 5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine

5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine (PubChem CID 67297915) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
PubChem CID67297915
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
SMILESCSc1cnc(-c2cnc(N)nc2)nc1N1CCOCC1
InChIInChI=1S/C13H16N6OS/c1-21-10-8-15-11(9-6-16-13(14)17-7-9)18-12(10)19-2-4-20-5-3-19/h6-8H,2-5H2,1H3,(H2,14,16,17)
InChIKeyQJYBSKBEYIFPRP-UHFFFAOYSA-N
XLogP1.07
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(Tert-butylsulfonyl)-2-morpholinopyrimidin-4-amine
CID 2778665
5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pyrimidin-2-amine
CID 46202651
5-(Isopropylsulfonyl)-2-morpholinopyrimidin-4-amine
CID 2819754
US10392376, Example 75
CID 137417716
3-Methyl-4-[5-methyl-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]morpholine
CID 71863715
2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157019688
2-Methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine dichloride
CID 46863683
5-Methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117080877
2-Methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 126456562
2-methylsulfanyl-N-[(2-methylsulfanyl-4-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 132455765
4-[1-(4-Chloro-5-methylsulfanylpyrimidin-2-yl)-4-methylpiperazin-2-yl]morpholine
CID 20393821
5-(4-Chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
CID 53328223

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine (CID 67297915) is 5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine is CSc1cnc(-c2cnc(N)nc2)nc1N1CCOCC1.
What is the InChIKey of 5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
The InChIKey is QJYBSKBEYIFPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-21-10-8-15-11(9-6-16-13(14)17-7-9)18-12(10)19-2-4-20-5-3-19/h6-8H,2-5H2,1H3,(H2,14,16,17).
What are the key properties of 5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine has a molecular weight of 304.38 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 67297915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).