6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

C27H36N6O — CID 124960098

IUPAC6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccc(CN2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1CN(C)C
InChIInChI=1S/C27H36N6O/c1-31(2)18-23-14-20(10-11-25(23)34-5)17-33-13-7-9-22(19-33)24-15-26(32(3)4)30-27(29-24)21-8-6-12-28-16-21/h6,8,10-12,14-16,22H,7,9,13,17-19H2,1-5H3/t22-/m1/s1
InChIKeyGSGXCBFMTCPJLO-JOCHJYFZSA-N
MW460.63 g/mol
LogP4.05
Rot. Bonds8

About 6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 124960098) has the molecular formula C27H36N6O and a molecular weight of 460.63 g/mol. Its IUPAC name is 6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID124960098
Molecular FormulaC27H36N6O
Molecular Weight460.63 g/mol
Exact Mass460.30
IUPAC Name6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccc(CN2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1CN(C)C
InChIInChI=1S/C27H36N6O/c1-31(2)18-23-14-20(10-11-25(23)34-5)17-33-13-7-9-22(19-33)24-15-26(32(3)4)30-27(29-24)21-8-6-12-28-16-21/h6,8,10-12,14-16,22H,7,9,13,17-19H2,1-5H3/t22-/m1/s1
InChIKeyGSGXCBFMTCPJLO-JOCHJYFZSA-N
XLogP4.05
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.63
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine with MolForge

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Launch Full Analysis

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-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 110243871
6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 125018904
6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606935
(2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110239961
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 110239986
4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765718
1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 92556138
6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606953
6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 92607004
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110239981
2-cyclohexyl-1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110239950

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (CID 124960098) is 6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is COc1ccc(CN2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1CN(C)C.
What is the InChIKey of 6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is GSGXCBFMTCPJLO-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H36N6O/c1-31(2)18-23-14-20(10-11-25(23)34-5)17-33-13-7-9-22(19-33)24-15-26(32(3)4)30-27(29-24)21-8-6-12-28-16-21/h6,8,10-12,14-16,22H,7,9,13,17-19H2,1-5H3/t22-/m1/s1.
What are the key properties of 6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 460.63 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 124960098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).