6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

C27H35N5O2 — CID 125018904

IUPAC6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCOc1ccc(COC)cc1CN1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1
InChIInChI=1S/C27H35N5O2/c1-5-34-25-11-10-20(19-33-4)14-23(25)18-32-13-7-9-22(17-32)24-15-26(31(2)3)30-27(29-24)21-8-6-12-28-16-21/h6,8,10-12,14-16,22H,5,7,9,13,17-19H2,1-4H3/t22-/m1/s1
InChIKeyXSITVTWFFPYOHL-JOCHJYFZSA-N
MW461.61 g/mol
LogP4.53
Rot. Bonds9

About 6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 125018904) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID125018904
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC Name6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCOc1ccc(COC)cc1CN1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1
InChIInChI=1S/C27H35N5O2/c1-5-34-25-11-10-20(19-33-4)14-23(25)18-32-13-7-9-22(17-32)24-15-26(31(2)3)30-27(29-24)21-8-6-12-28-16-21/h6,8,10-12,14-16,22H,5,7,9,13,17-19H2,1-4H3/t22-/m1/s1
InChIKeyXSITVTWFFPYOHL-JOCHJYFZSA-N
XLogP4.53
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(3R)-1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606924
6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 124960098
6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 110243871
6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606935
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 110239986
(2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110239961
N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 92607008
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110239994
1-[(3R)-3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92606896
1-[(3S)-3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92606897
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110239981
6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606953

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (CID 125018904) is 6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is CCOc1ccc(COC)cc1CN1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1.
What is the InChIKey of 6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is XSITVTWFFPYOHL-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-5-34-25-11-10-20(19-33-4)14-23(25)18-32-13-7-9-22(17-32)24-15-26(31(2)3)30-27(29-24)21-8-6-12-28-16-21/h6,8,10-12,14-16,22H,5,7,9,13,17-19H2,1-4H3/t22-/m1/s1.
What are the key properties of 6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 461.61 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 125018904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).