(2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine

C10H15N3O2 — CID 97325062

IUPAC(2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine
SMILESCOc1cc(N2CCO[C@@H](C)C2)ncn1
InChIInChI=1S/C10H15N3O2/c1-8-6-13(3-4-15-8)9-5-10(14-2)12-7-11-9/h5,7-8H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyCLPURNUHULYZMH-QMMMGPOBSA-N
MW209.25 g/mol
LogP0.71
Rot. Bonds2

About (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine

(2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine (PubChem CID 97325062) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine
PubChem CID97325062
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine
SMILESCOc1cc(N2CCO[C@@H](C)C2)ncn1
InChIInChI=1S/C10H15N3O2/c1-8-6-13(3-4-15-8)9-5-10(14-2)12-7-11-9/h5,7-8H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyCLPURNUHULYZMH-QMMMGPOBSA-N
XLogP0.71
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine?
The IUPAC name of (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine (CID 97325062) is (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine.
What is the SMILES notation for (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine?
The canonical SMILES for (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine is COc1cc(N2CCO[C@@H](C)C2)ncn1.
What is the InChIKey of (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine?
The InChIKey is CLPURNUHULYZMH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8-6-13(3-4-15-8)9-5-10(14-2)12-7-11-9/h5,7-8H,3-4,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine?
(2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine has a molecular weight of 209.25 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine is sourced from PubChem (CID 97325062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).