N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine

C11H18N4O3S — CID 125025039

IUPACN,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc([C@@H]2COCCN2S(C)(=O)=O)n1
InChIInChI=1S/C11H18N4O3S/c1-8-6-10(12-2)14-11(13-8)9-7-18-5-4-15(9)19(3,16)17/h6,9H,4-5,7H2,1-3H3,(H,12,13,14)/t9-/m0/s1
InChIKeyZJUMJCXHJMXKQO-VIFPVBQESA-N
MW286.36 g/mol
LogP0.16
Rot. Bonds3

About N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine

N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine (PubChem CID 125025039) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
PubChem CID125025039
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc([C@@H]2COCCN2S(C)(=O)=O)n1
InChIInChI=1S/C11H18N4O3S/c1-8-6-10(12-2)14-11(13-8)9-7-18-5-4-15(9)19(3,16)17/h6,9H,4-5,7H2,1-3H3,(H,12,13,14)/t9-/m0/s1
InChIKeyZJUMJCXHJMXKQO-VIFPVBQESA-N
XLogP0.16
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine (CID 125025039) is N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine is CNc1cc(C)nc([C@@H]2COCCN2S(C)(=O)=O)n1.
What is the InChIKey of N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine?
The InChIKey is ZJUMJCXHJMXKQO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-8-6-10(12-2)14-11(13-8)9-7-18-5-4-15(9)19(3,16)17/h6,9H,4-5,7H2,1-3H3,(H,12,13,14)/t9-/m0/s1.
What are the key properties of N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine?
N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine has a molecular weight of 286.36 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 125025039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).