[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone

C26H37N5O3 — CID 110150925

IUPAC[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone
SMILESCc1nc(N(C)C)cc(C2(C)CCCN(C(=O)c3ccccc3OCCN3CCOCC3)C2)n1
InChIInChI=1S/C26H37N5O3/c1-20-27-23(18-24(28-20)29(3)4)26(2)10-7-11-31(19-26)25(32)21-8-5-6-9-22(21)34-17-14-30-12-15-33-16-13-30/h5-6,8-9,18H,7,10-17,19H2,1-4H3
InChIKeyKDYWMLCANHTFPA-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.76
Rot. Bonds7

About [3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone

[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone (PubChem CID 110150925) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is [3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone.

Molecular Properties

Compound Name[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone
PubChem CID110150925
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC Name[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone
SMILESCc1nc(N(C)C)cc(C2(C)CCCN(C(=O)c3ccccc3OCCN3CCOCC3)C2)n1
InChIInChI=1S/C26H37N5O3/c1-20-27-23(18-24(28-20)29(3)4)26(2)10-7-11-31(19-26)25(32)21-8-5-6-9-22(21)34-17-14-30-12-15-33-16-13-30/h5-6,8-9,18H,7,10-17,19H2,1-4H3
InChIKeyKDYWMLCANHTFPA-UHFFFAOYSA-N
XLogP2.76
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 110149546
1-[2-[2-[(3S)-3-methyl-3-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 124990254
[(3S)-3-methyl-3-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-1-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 124941595
[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[4-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone
CID 124948684
7-[2-(2-morpholin-4-ylethoxy)benzoyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110151711
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
(5S)-3-benzyl-7-[2-(2-morpholin-4-ylethoxy)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129455124
[2-(2-morpholin-4-ylethoxy)-4-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 86098568
[2-(2-methylprop-2-enoxy)phenyl]-[3-methyl-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 166316543
1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one
CID 2995994

Frequently Asked Questions

What is the IUPAC name of [3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone?
The IUPAC name of [3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone (CID 110150925) is [3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone.
What is the SMILES notation for [3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone?
The canonical SMILES for [3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone is Cc1nc(N(C)C)cc(C2(C)CCCN(C(=O)c3ccccc3OCCN3CCOCC3)C2)n1.
What is the InChIKey of [3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone?
The InChIKey is KDYWMLCANHTFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-20-27-23(18-24(28-20)29(3)4)26(2)10-7-11-31(19-26)25(32)21-8-5-6-9-22(21)34-17-14-30-12-15-33-16-13-30/h5-6,8-9,18H,7,10-17,19H2,1-4H3.
What are the key properties of [3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone?
[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone has a molecular weight of 467.61 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone is sourced from PubChem (CID 110150925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).