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

C22H20N6O2 — CID 89070214

IUPACN-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide
SMILESCc1ccc2nc(Nc3cc(OCCNC=O)cc(-c4cncnc4)c3)ncc2c1
InChIInChI=1S/C22H20N6O2/c1-15-2-3-21-17(6-15)12-26-22(28-21)27-19-7-16(18-10-24-13-25-11-18)8-20(9-19)30-5-4-23-14-29/h2-3,6-14H,4-5H2,1H3,(H,23,29)(H,26,27,28)
InChIKeyOHLGDRPPSQECKG-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.26
Rot. Bonds8

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

N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide (PubChem CID 89070214) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide
PubChem CID89070214
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide
SMILESCc1ccc2nc(Nc3cc(OCCNC=O)cc(-c4cncnc4)c3)ncc2c1
InChIInChI=1S/C22H20N6O2/c1-15-2-3-21-17(6-15)12-26-22(28-21)27-19-7-16(18-10-24-13-25-11-18)8-20(9-19)30-5-4-23-14-29/h2-3,6-14H,4-5H2,1H3,(H,23,29)(H,26,27,28)
InChIKeyOHLGDRPPSQECKG-UHFFFAOYSA-N
XLogP3.26
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide?
The IUPAC name of N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide (CID 89070214) is N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide?
The canonical SMILES for N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide is Cc1ccc2nc(Nc3cc(OCCNC=O)cc(-c4cncnc4)c3)ncc2c1.
What is the InChIKey of N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide?
The InChIKey is OHLGDRPPSQECKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-15-2-3-21-17(6-15)12-26-22(28-21)27-19-7-16(18-10-24-13-25-11-18)8-20(9-19)30-5-4-23-14-29/h2-3,6-14H,4-5H2,1H3,(H,23,29)(H,26,27,28).
What are the key properties of N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide?
N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide has a molecular weight of 400.44 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(6-methylquinazolin-2-yl)amino]-5-pyrimidin-5-ylphenoxy]ethyl]formamide is sourced from PubChem (CID 89070214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).