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

C18H22N4O2 — CID 110271867

IUPAC[2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone
SMILESCc1nc(C2CN(C(=O)c3ccccc3)CCO2)cc(N(C)C)n1
InChIInChI=1S/C18H22N4O2/c1-13-19-15(11-17(20-13)21(2)3)16-12-22(9-10-24-16)18(23)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3
InChIKeyIAYOTXOTXWMVQD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.06
Rot. Bonds3

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

[2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone (PubChem CID 110271867) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone
PubChem CID110271867
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone
SMILESCc1nc(C2CN(C(=O)c3ccccc3)CCO2)cc(N(C)C)n1
InChIInChI=1S/C18H22N4O2/c1-13-19-15(11-17(20-13)21(2)3)16-12-22(9-10-24-16)18(23)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3
InChIKeyIAYOTXOTXWMVQD-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone
CID 95847585
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124948273
1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-methylpyrimidin-4-yl]morpholin-4-yl]ethanone
CID 124939926
[(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-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone
CID 110112057
[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone
CID 125027072
[(2R)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124949019
(E)-1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 124945662
[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]-phenylmethanone
CID 110251818
[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 124953671
2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115994

Frequently Asked Questions

What is the IUPAC name of [2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone?
The IUPAC name of [2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone (CID 110271867) is [2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone?
The canonical SMILES for [2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone is Cc1nc(C2CN(C(=O)c3ccccc3)CCO2)cc(N(C)C)n1.
What is the InChIKey of [2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone?
The InChIKey is IAYOTXOTXWMVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-19-15(11-17(20-13)21(2)3)16-12-22(9-10-24-16)18(23)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3.
What are the key properties of [2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone?
[2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone has a molecular weight of 326.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 110271867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).