4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine

C21H27N5O2S — CID 20814305

IUPAC4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cc2c(Nc3nc(C)c(C)s3)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C21H27N5O2S/c1-14-11-17-18(12-19(14)28-8-4-5-26-6-9-27-10-7-26)22-13-23-20(17)25-21-24-15(2)16(3)29-21/h11-13H,4-10H2,1-3H3,(H,22,23,24,25)
InChIKeyHOAQYCNUOSDJRK-UHFFFAOYSA-N
MW413.55 g/mol
LogP3.86
Rot. Bonds7

About 4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine

4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine (PubChem CID 20814305) has the molecular formula C21H27N5O2S and a molecular weight of 413.55 g/mol. Its IUPAC name is 4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
PubChem CID20814305
Molecular FormulaC21H27N5O2S
Molecular Weight413.55 g/mol
Exact Mass413.19
IUPAC Name4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cc2c(Nc3nc(C)c(C)s3)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C21H27N5O2S/c1-14-11-17-18(12-19(14)28-8-4-5-26-6-9-27-10-7-26)22-13-23-20(17)25-21-24-15(2)16(3)29-21/h11-13H,4-10H2,1-3H3,(H,22,23,24,25)
InChIKeyHOAQYCNUOSDJRK-UHFFFAOYSA-N
XLogP3.86
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 53.86
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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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine (CID 20814305) is 4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine is Cc1cc2c(Nc3nc(C)c(C)s3)ncnc2cc1OCCCN1CCOCC1.
What is the InChIKey of 4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is HOAQYCNUOSDJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S/c1-14-11-17-18(12-19(14)28-8-4-5-26-6-9-27-10-7-26)22-13-23-20(17)25-21-24-15(2)16(3)29-21/h11-13H,4-10H2,1-3H3,(H,22,23,24,25).
What are the key properties of 4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 413.55 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 20814305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).