N-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine

C14H24N4S2 — CID 125139034

IUPACN-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine
SMILESCSCC[C@@H](C)N(C)c1cc(N2CCSCC2)ncn1
InChIInChI=1S/C14H24N4S2/c1-12(4-7-19-3)17(2)13-10-14(16-11-15-13)18-5-8-20-9-6-18/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyOZNIOOJTVVWDKZ-GFCCVEGCSA-N
MW312.51 g/mol
LogP2.61
Rot. Bonds6

About N-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine

N-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine (PubChem CID 125139034) has the molecular formula C14H24N4S2 and a molecular weight of 312.51 g/mol. Its IUPAC name is N-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine
PubChem CID125139034
Molecular FormulaC14H24N4S2
Molecular Weight312.51 g/mol
Exact Mass312.14
IUPAC NameN-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine
SMILESCSCC[C@@H](C)N(C)c1cc(N2CCSCC2)ncn1
InChIInChI=1S/C14H24N4S2/c1-12(4-7-19-3)17(2)13-10-14(16-11-15-13)18-5-8-20-9-6-18/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyOZNIOOJTVVWDKZ-GFCCVEGCSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.51
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine (CID 125139034) is N-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine is CSCC[C@@H](C)N(C)c1cc(N2CCSCC2)ncn1.
What is the InChIKey of N-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine?
The InChIKey is OZNIOOJTVVWDKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4S2/c1-12(4-7-19-3)17(2)13-10-14(16-11-15-13)18-5-8-20-9-6-18/h10-12H,4-9H2,1-3H3/t12-/m1/s1.
What are the key properties of N-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine?
N-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine has a molecular weight of 312.51 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 125139034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).