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

C14H24N4O2 — CID 164638927

IUPAC[(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol
SMILESCC(C)c1nccc(NC[C@]2(CO)COCCN2C)n1
InChIInChI=1S/C14H24N4O2/c1-11(2)13-15-5-4-12(17-13)16-8-14(9-19)10-20-7-6-18(14)3/h4-5,11,19H,6-10H2,1-3H3,(H,15,16,17)/t14-/m0/s1
InChIKeyYKHMXQODBSTIEM-AWEZNQCLSA-N
MW280.37 g/mol
LogP0.70
Rot. Bonds5

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

[(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol (PubChem CID 164638927) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol
PubChem CID164638927
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name[(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol
SMILESCC(C)c1nccc(NC[C@]2(CO)COCCN2C)n1
InChIInChI=1S/C14H24N4O2/c1-11(2)13-15-5-4-12(17-13)16-8-14(9-19)10-20-7-6-18(14)3/h4-5,11,19H,6-10H2,1-3H3,(H,15,16,17)/t14-/m0/s1
InChIKeyYKHMXQODBSTIEM-AWEZNQCLSA-N
XLogP0.70
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol?
The IUPAC name of [(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol (CID 164638927) is [(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol.
What is the SMILES notation for [(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol?
The canonical SMILES for [(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol is CC(C)c1nccc(NC[C@]2(CO)COCCN2C)n1.
What is the InChIKey of [(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol?
The InChIKey is YKHMXQODBSTIEM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(2)13-15-5-4-12(17-13)16-8-14(9-19)10-20-7-6-18(14)3/h4-5,11,19H,6-10H2,1-3H3,(H,15,16,17)/t14-/m0/s1.
What are the key properties of [(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol?
[(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol has a molecular weight of 280.37 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol is sourced from PubChem (CID 164638927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).