[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone

C16H18N4O2 — CID 95847585

IUPAC[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone
SMILESCc1nc(N)cc([C@@H]2CN(C(=O)c3ccccc3)CCO2)n1
InChIInChI=1S/C16H18N4O2/c1-11-18-13(9-15(17)19-11)14-10-20(7-8-22-14)16(21)12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3,(H2,17,18,19)/t14-/m0/s1
InChIKeyXDOVTKXTDRGMHU-AWEZNQCLSA-N
MW298.35 g/mol
LogP1.58
Rot. Bonds2

About [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone

[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone (PubChem CID 95847585) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone
PubChem CID95847585
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone
SMILESCc1nc(N)cc([C@@H]2CN(C(=O)c3ccccc3)CCO2)n1
InChIInChI=1S/C16H18N4O2/c1-11-18-13(9-15(17)19-11)14-10-20(7-8-22-14)16(21)12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3,(H2,17,18,19)/t14-/m0/s1
InChIKeyXDOVTKXTDRGMHU-AWEZNQCLSA-N
XLogP1.58
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone
CID 110271867
2-methyl-6-(4-phenylmorpholin-2-yl)pyrimidin-4-amine
CID 110271823
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124948273
1-[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-2-pyrazol-1-ylethanone
CID 110271881
[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124967445
[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110115924
2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115994
[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124987078
2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638905
[(2R)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124949019
[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]-phenylmethanone
CID 110251818
[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-quinolin-3-ylmethanone
CID 110113455

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone (CID 95847585) is [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone is Cc1nc(N)cc([C@@H]2CN(C(=O)c3ccccc3)CCO2)n1.
What is the InChIKey of [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone?
The InChIKey is XDOVTKXTDRGMHU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-18-13(9-15(17)19-11)14-10-20(7-8-22-14)16(21)12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3,(H2,17,18,19)/t14-/m0/s1.
What are the key properties of [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone?
[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone has a molecular weight of 298.35 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 95847585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).