N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine

C23H27N5O3 — CID 127249199

IUPACN-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
SMILESCOCCOc1cccc(CN2CCOC(c3ccc(Nc4ncccn4)cn3)C2)c1
InChIInChI=1S/C23H27N5O3/c1-29-12-13-30-20-5-2-4-18(14-20)16-28-10-11-31-22(17-28)21-7-6-19(15-26-21)27-23-24-8-3-9-25-23/h2-9,14-15,22H,10-13,16-17H2,1H3,(H,24,25,27)
InChIKeyFOMCOVQBFYQTSH-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.21
Rot. Bonds9

About N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine

N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 127249199) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
PubChem CID127249199
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
SMILESCOCCOc1cccc(CN2CCOC(c3ccc(Nc4ncccn4)cn3)C2)c1
InChIInChI=1S/C23H27N5O3/c1-29-12-13-30-20-5-2-4-18(14-20)16-28-10-11-31-22(17-28)21-7-6-19(15-26-21)27-23-24-8-3-9-25-23/h2-9,14-15,22H,10-13,16-17H2,1H3,(H,24,25,27)
InChIKeyFOMCOVQBFYQTSH-UHFFFAOYSA-N
XLogP3.21
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-[4-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249193
6-[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-3-amine
CID 110272026
3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 155983033
6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124958285
N-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide
CID 124990848
2-[1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 110236053
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812
4-[(4-fluorophenyl)methyl]-2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250272
6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251771
[5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol
CID 124990832
N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 127249181
N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide
CID 124959331

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine (CID 127249199) is N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine is COCCOc1cccc(CN2CCOC(c3ccc(Nc4ncccn4)cn3)C2)c1.
What is the InChIKey of N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is FOMCOVQBFYQTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-29-12-13-30-20-5-2-4-18(14-20)16-28-10-11-31-22(17-28)21-7-6-19(15-26-21)27-23-24-8-3-9-25-23/h2-9,14-15,22H,10-13,16-17H2,1H3,(H,24,25,27).
What are the key properties of N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 421.50 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 127249199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).