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

C24H33N5O3 — CID 110149546

IUPAC[4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone
SMILESCc1nc(N)cc(C2(C)CCN(C(=O)c3ccccc3OCCN3CCOCC3)CC2)n1
InChIInChI=1S/C24H33N5O3/c1-18-26-21(17-22(25)27-18)24(2)7-9-29(10-8-24)23(30)19-5-3-4-6-20(19)32-16-13-28-11-14-31-15-12-28/h3-6,17H,7-16H2,1-2H3,(H2,25,26,27)
InChIKeyPZVGZAIPOIJKFZ-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.27
Rot. Bonds6

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

[4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone (PubChem CID 110149546) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is [4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone
PubChem CID110149546
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name[4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone
SMILESCc1nc(N)cc(C2(C)CCN(C(=O)c3ccccc3OCCN3CCOCC3)CC2)n1
InChIInChI=1S/C24H33N5O3/c1-18-26-21(17-22(25)27-18)24(2)7-9-29(10-8-24)23(30)19-5-3-4-6-20(19)32-16-13-28-11-14-31-15-12-28/h3-6,17H,7-16H2,1-2H3,(H2,25,26,27)
InChIKeyPZVGZAIPOIJKFZ-UHFFFAOYSA-N
XLogP2.27
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone with MolForge

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Related Compounds

[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 110150925
7-[2-(2-morpholin-4-ylethoxy)benzoyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110151711
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
1-[2-[2-[(3S)-3-methyl-3-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 124990254
(5S)-3-benzyl-7-[2-(2-morpholin-4-ylethoxy)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129455124
[(3S)-3-methyl-3-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-1-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 124941595
1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one
CID 2995994
2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid
CID 166265933
1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone
CID 129455963
[2-(2-morpholin-4-ylethoxy)-4-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 86098568
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone?
The IUPAC name of [4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone (CID 110149546) is [4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone.
What is the SMILES notation for [4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone?
The canonical SMILES for [4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone is Cc1nc(N)cc(C2(C)CCN(C(=O)c3ccccc3OCCN3CCOCC3)CC2)n1.
What is the InChIKey of [4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone?
The InChIKey is PZVGZAIPOIJKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-18-26-21(17-22(25)27-18)24(2)7-9-29(10-8-24)23(30)19-5-3-4-6-20(19)32-16-13-28-11-14-31-15-12-28/h3-6,17H,7-16H2,1-2H3,(H2,25,26,27).
What are the key properties of [4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone?
[4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone has a molecular weight of 439.56 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-2-methylpyrimidin-4-yl)-4-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone is sourced from PubChem (CID 110149546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).