[(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol

C13H21N3O2 — CID 99950894

IUPAC[(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol
SMILESCC(C)c1nccc(CN2CCOC[C@@H]2CO)n1
InChIInChI=1S/C13H21N3O2/c1-10(2)13-14-4-3-11(15-13)7-16-5-6-18-9-12(16)8-17/h3-4,10,12,17H,5-9H2,1-2H3/t12-/m0/s1
InChIKeyRHSVZIUOSJZJKM-LBPRGKRZSA-N
MW251.33 g/mol
LogP0.79
Rot. Bonds4

About [(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol

[(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol (PubChem CID 99950894) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol
PubChem CID99950894
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol
SMILESCC(C)c1nccc(CN2CCOC[C@@H]2CO)n1
InChIInChI=1S/C13H21N3O2/c1-10(2)13-14-4-3-11(15-13)7-16-5-6-18-9-12(16)8-17/h3-4,10,12,17H,5-9H2,1-2H3/t12-/m0/s1
InChIKeyRHSVZIUOSJZJKM-LBPRGKRZSA-N
XLogP0.79
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol?
The IUPAC name of [(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol (CID 99950894) is [(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol.
What is the SMILES notation for [(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol?
The canonical SMILES for [(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol is CC(C)c1nccc(CN2CCOC[C@@H]2CO)n1.
What is the InChIKey of [(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol?
The InChIKey is RHSVZIUOSJZJKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)13-14-4-3-11(15-13)7-16-5-6-18-9-12(16)8-17/h3-4,10,12,17H,5-9H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol?
[(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]morpholin-3-yl]methanol is sourced from PubChem (CID 99950894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).