3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide

C25H26N6O3 — CID 70889493

IUPAC3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide
SMILESCOCCC(=O)NCCOc1cc(Nc2ncc3cc(C)ccc3n2)cc(-c2cncnc2)c1
InChIInChI=1S/C25H26N6O3/c1-17-3-4-23-19(9-17)15-29-25(31-23)30-21-10-18(20-13-26-16-27-14-20)11-22(12-21)34-8-6-28-24(32)5-7-33-2/h3-4,9-16H,5-8H2,1-2H3,(H,28,32)(H,29,30,31)
InChIKeyXAWHNEUGADKBPD-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.67
Rot. Bonds10

About 3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide

3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide (PubChem CID 70889493) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide
PubChem CID70889493
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide
SMILESCOCCC(=O)NCCOc1cc(Nc2ncc3cc(C)ccc3n2)cc(-c2cncnc2)c1
InChIInChI=1S/C25H26N6O3/c1-17-3-4-23-19(9-17)15-29-25(31-23)30-21-10-18(20-13-26-16-27-14-20)11-22(12-21)34-8-6-28-24(32)5-7-33-2/h3-4,9-16H,5-8H2,1-2H3,(H,28,32)(H,29,30,31)
InChIKeyXAWHNEUGADKBPD-UHFFFAOYSA-N
XLogP3.67
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide
CID 89070214
2-[ethyl(propyl)amino]-N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 143913303
[1-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylamino]-1-oxopropan-2-yl]carbamic acid
CID 87535942
2-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]acetic acid
CID 141216292
N-(2-methoxyethyl)-4-[[6-(2-methyl-4-pyridinyl)quinazolin-2-yl]amino]benzamide
CID 71584271
2-[3-[(4R)-1,4-dimethyl-4,5-dihydroazepin-3-yl]-5-[(6-methylquinazolin-2-yl)amino]phenoxy]acetic acid
CID 70889719
2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
CID 109262764
2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide
CID 89070276
tert-butyl N-[(2R)-1-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethylamino]-1-oxopropan-2-yl]carbamate
CID 67081912
N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide
CID 10195272
N-(2-methoxyethyl)-2-[2-(3-methylphenoxy)ethylamino]acetamide
CID 54940682
2-(dimethylamino)-N-[2-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 59325377

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide?
The IUPAC name of 3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide (CID 70889493) is 3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide?
The canonical SMILES for 3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide is COCCC(=O)NCCOc1cc(Nc2ncc3cc(C)ccc3n2)cc(-c2cncnc2)c1.
What is the InChIKey of 3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide?
The InChIKey is XAWHNEUGADKBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-17-3-4-23-19(9-17)15-29-25(31-23)30-21-10-18(20-13-26-16-27-14-20)11-22(12-21)34-8-6-28-24(32)5-7-33-2/h3-4,9-16H,5-8H2,1-2H3,(H,28,32)(H,29,30,31).
What are the key properties of 3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide?
3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide has a molecular weight of 458.52 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]propanamide is sourced from PubChem (CID 70889493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).