(2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone

C25H29N5O3 — CID 110239961

IUPAC(2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCCC(c2cc(N(C)C)nc(-c3cccnc3)n2)C1
InChIInChI=1S/C25H29N5O3/c1-29(2)22-14-19(27-24(28-22)17-8-6-12-26-15-17)18-9-7-13-30(16-18)25(31)23-20(32-3)10-5-11-21(23)33-4/h5-6,8,10-12,14-15,18H,7,9,13,16H2,1-4H3
InChIKeyKATAAQBFRJRORU-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.64
Rot. Bonds6

About (2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone

(2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 110239961) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID110239961
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name(2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCCC(c2cc(N(C)C)nc(-c3cccnc3)n2)C1
InChIInChI=1S/C25H29N5O3/c1-29(2)22-14-19(27-24(28-22)17-8-6-12-26-15-17)18-9-7-13-30(16-18)25(31)23-20(32-3)10-5-11-21(23)33-4/h5-6,8,10-12,14-15,18H,7,9,13,16H2,1-4H3
InChIKeyKATAAQBFRJRORU-UHFFFAOYSA-N
XLogP3.64
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110239981
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 110239986
1-[(3S)-3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92606897
1-[(3R)-3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92606896
2-cyclohexyl-1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110239950
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110239994
6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 110243871
6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 124960098
6-[(3R)-1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606924
1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 92556138
6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606935
1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 92606944

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone (CID 110239961) is (2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCCC(c2cc(N(C)C)nc(-c3cccnc3)n2)C1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is KATAAQBFRJRORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-29(2)22-14-19(27-24(28-22)17-8-6-12-26-15-17)18-9-7-13-30(16-18)25(31)23-20(32-3)10-5-11-21(23)33-4/h5-6,8,10-12,14-15,18H,7,9,13,16H2,1-4H3.
What are the key properties of (2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 447.54 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110239961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).