2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol

C12H20N4O2 — CID 124962756

IUPAC2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol
SMILESCNc1cc(C)nc([C@H]2COCCN2CCO)n1
InChIInChI=1S/C12H20N4O2/c1-9-7-11(13-2)15-12(14-9)10-8-18-6-4-16(10)3-5-17/h7,10,17H,3-6,8H2,1-2H3,(H,13,14,15)/t10-/m1/s1
InChIKeyHLCNYBCLUCMOCO-SNVBAGLBSA-N
MW252.32 g/mol
LogP0.19
Rot. Bonds4

About 2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol

2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol (PubChem CID 124962756) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol
PubChem CID124962756
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol
SMILESCNc1cc(C)nc([C@H]2COCCN2CCO)n1
InChIInChI=1S/C12H20N4O2/c1-9-7-11(13-2)15-12(14-9)10-8-18-6-4-16(10)3-5-17/h7,10,17H,3-6,8H2,1-2H3,(H,13,14,15)/t10-/m1/s1
InChIKeyHLCNYBCLUCMOCO-SNVBAGLBSA-N
XLogP0.19
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol?
The IUPAC name of 2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol (CID 124962756) is 2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol.
What is the SMILES notation for 2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol?
The canonical SMILES for 2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol is CNc1cc(C)nc([C@H]2COCCN2CCO)n1.
What is the InChIKey of 2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol?
The InChIKey is HLCNYBCLUCMOCO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-7-11(13-2)15-12(14-9)10-8-18-6-4-16(10)3-5-17/h7,10,17H,3-6,8H2,1-2H3,(H,13,14,15)/t10-/m1/s1.
What are the key properties of 2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol?
2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol has a molecular weight of 252.32 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol is sourced from PubChem (CID 124962756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).