4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine

C26H33N5O2 — CID 92563624

IUPAC4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine
SMILESCOc1ccc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(OC)c1
InChIInChI=1S/C26H33N5O2/c1-18-15-27-12-11-21(18)22-16-28-26(30(2)3)29-25(22)23-8-6-7-13-31(23)17-19-9-10-20(32-4)14-24(19)33-5/h9-12,14-16,23H,6-8,13,17H2,1-5H3/t23-/m0/s1
InChIKeyOUZHFQOGPNORGG-QHCPKHFHSA-N
MW447.58 g/mol
LogP4.66
Rot. Bonds7

About 4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine

4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine (PubChem CID 92563624) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine
PubChem CID92563624
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine
SMILESCOc1ccc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(OC)c1
InChIInChI=1S/C26H33N5O2/c1-18-15-27-12-11-21(18)22-16-28-26(30(2)3)29-25(22)23-8-6-7-13-31(23)17-19-9-10-20(32-4)14-24(19)33-5/h9-12,14-16,23H,6-8,13,17H2,1-5H3/t23-/m0/s1
InChIKeyOUZHFQOGPNORGG-QHCPKHFHSA-N
XLogP4.66
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-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
[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110218379
1-[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 110245839
1-[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
CID 110218163
4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 110266388
4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 110266195
[(2S)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92563591
[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92563590
4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine
CID 95850389
5-(3-methoxyphenyl)-N,N-dimethyl-4-[(2R)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
CID 124951654
1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-2-pyridin-2-yloxyethanone
CID 92563547

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine (CID 92563624) is 4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine is COc1ccc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(OC)c1.
What is the InChIKey of 4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine?
The InChIKey is OUZHFQOGPNORGG-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-18-15-27-12-11-21(18)22-16-28-26(30(2)3)29-25(22)23-8-6-7-13-31(23)17-19-9-10-20(32-4)14-24(19)33-5/h9-12,14-16,23H,6-8,13,17H2,1-5H3/t23-/m0/s1.
What are the key properties of 4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine?
4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine has a molecular weight of 447.58 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 92563624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).