5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine

C22H32N4O3 — CID 95836756

IUPAC5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCOCCN1CCCC[C@H]1c1nc(N(C)C)ncc1-c1c(OC)cccc1OC
InChIInChI=1S/C22H32N4O3/c1-25(2)22-23-15-16(20-18(28-4)10-8-11-19(20)29-5)21(24-22)17-9-6-7-12-26(17)13-14-27-3/h8,10-11,15,17H,6-7,9,12-14H2,1-5H3/t17-/m0/s1
InChIKeyANHPSJZZHLKHRT-KRWDZBQOSA-N
MW400.52 g/mol
LogP3.40
Rot. Bonds8

About 5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine

5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 95836756) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID95836756
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCOCCN1CCCC[C@H]1c1nc(N(C)C)ncc1-c1c(OC)cccc1OC
InChIInChI=1S/C22H32N4O3/c1-25(2)22-23-15-16(20-18(28-4)10-8-11-19(20)29-5)21(24-22)17-9-6-7-12-26(17)13-14-27-3/h8,10-11,15,17H,6-7,9,12-14H2,1-5H3/t17-/m0/s1
InChIKeyANHPSJZZHLKHRT-KRWDZBQOSA-N
XLogP3.40
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine with MolForge

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Related Compounds

4-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine
CID 110218295
4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine
CID 110218294
4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine
CID 92563624
4-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N,N-dimethyl-5-phenylpyrimidin-2-amine
CID 92616640
5-(3-methoxyphenyl)-N,N-dimethyl-4-[(2R)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
CID 124951654
4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 110266388
3-[2-(dimethylamino)-4-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
CID 110266291
4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 110266195
4-[(2S)-1-benzylpyrrolidin-2-yl]-5-(3-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 95836542
4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 110266401
1-[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 110245839
4-[(2R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 92617762

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine (CID 95836756) is 5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine is COCCN1CCCC[C@H]1c1nc(N(C)C)ncc1-c1c(OC)cccc1OC.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is ANHPSJZZHLKHRT-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-25(2)22-23-15-16(20-18(28-4)10-8-11-19(20)29-5)21(24-22)17-9-6-7-12-26(17)13-14-27-3/h8,10-11,15,17H,6-7,9,12-14H2,1-5H3/t17-/m0/s1.
What are the key properties of 5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine?
5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 400.52 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-4-[(2S)-1-(2-methoxyethyl)piperidin-2-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 95836756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).