[5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol

C25H31N5O3 — CID 124990832

IUPAC[5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(CN2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1CO
InChIInChI=1S/C25H31N5O3/c1-4-32-23-8-5-19(12-20(23)16-31)14-30-9-10-33-24(15-30)22-7-6-21(13-26-22)29-25-27-17(2)11-18(3)28-25/h5-8,11-13,24,31H,4,9-10,14-16H2,1-3H3,(H,27,28,29)/t24-/m0/s1
InChIKeyPERQONVWZNDDDT-DEOSSOPVSA-N
MW449.56 g/mol
LogP3.70
Rot. Bonds8

About [5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol

[5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol (PubChem CID 124990832) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is [5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol
PubChem CID124990832
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name[5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(CN2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1CO
InChIInChI=1S/C25H31N5O3/c1-4-32-23-8-5-19(12-20(23)16-31)14-30-9-10-33-24(15-30)22-7-6-21(13-26-22)29-25-27-17(2)11-18(3)28-25/h5-8,11-13,24,31H,4,9-10,14-16H2,1-3H3,(H,27,28,29)/t24-/m0/s1
InChIKeyPERQONVWZNDDDT-DEOSSOPVSA-N
XLogP3.70
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 127249181
[2-ethoxy-5-[[4-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol
CID 95834271
4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249221
[5-[[(2R)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol
CID 124988259
4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249190
[2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol
CID 95834986
6-[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-3-amine
CID 110272026
N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249199
N-[6-[4-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249193
N-[6-[4-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110093053
N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine
CID 127249198
[2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol
CID 45233381

Frequently Asked Questions

What is the IUPAC name of [5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol?
The IUPAC name of [5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol (CID 124990832) is [5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol is CCOc1ccc(CN2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1CO.
What is the InChIKey of [5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol?
The InChIKey is PERQONVWZNDDDT-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-4-32-23-8-5-19(12-20(23)16-31)14-30-9-10-33-24(15-30)22-7-6-21(13-26-22)29-25-27-17(2)11-18(3)28-25/h5-8,11-13,24,31H,4,9-10,14-16H2,1-3H3,(H,27,28,29)/t24-/m0/s1.
What are the key properties of [5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol?
[5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol has a molecular weight of 449.56 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol is sourced from PubChem (CID 124990832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).