2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide

C22H27N7O5 — CID 154963220

IUPAC2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide
SMILESCOc1c(CCCN2CCOCC2)ccc2c(=O)n(C)c(=O)n(NC(=O)c3cnc(N)nc3)c12
InChIInChI=1S/C22H27N7O5/c1-27-20(31)16-6-5-14(4-3-7-28-8-10-34-11-9-28)18(33-2)17(16)29(22(27)32)26-19(30)15-12-24-21(23)25-13-15/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,26,30)(H2,23,24,25)
InChIKeyMTWPYQUADURHOP-UHFFFAOYSA-N
MW469.50 g/mol
LogP-0.27
Rot. Bonds7

About 2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide

2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide (PubChem CID 154963220) has the molecular formula C22H27N7O5 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide
PubChem CID154963220
Molecular FormulaC22H27N7O5
Molecular Weight469.50 g/mol
Exact Mass469.21
IUPAC Name2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide
SMILESCOc1c(CCCN2CCOCC2)ccc2c(=O)n(C)c(=O)n(NC(=O)c3cnc(N)nc3)c12
InChIInChI=1S/C22H27N7O5/c1-27-20(31)16-6-5-14(4-3-7-28-8-10-34-11-9-28)18(33-2)17(16)29(22(27)32)26-19(30)15-12-24-21(23)25-13-15/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,26,30)(H2,23,24,25)
InChIKeyMTWPYQUADURHOP-UHFFFAOYSA-N
XLogP-0.27
TPSA146.60 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.50
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide
CID 154973696
2-amino-N-[6-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-5-methoxy-2-methyl-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide
CID 154973837
N-[4-amino-6-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-5-methoxy-2-methyl-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide
CID 162346629
2-amino-N-[8-methoxy-3-methyl-7-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 154963229
2-amino-N-[8-methoxy-3-methyl-7-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 162701360
2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 162701405
6-methoxy-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 47126571
5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide
CID 162701391
2-amino-N-[[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-3-methoxy-2-(methylideneamino)benzoyl]-methylamino]methyl]pyrimidine-5-carboxamide
CID 166812166
2-amino-N-[7-[2-(methanesulfonamido)ethoxy]-8-methoxy-3-methyl-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 154963242
4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
CID 54071748
4-(3-isoquinolin-8-ylpropyl)morpholine
CID 170870005

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide (CID 154963220) is 2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide is COc1c(CCCN2CCOCC2)ccc2c(=O)n(C)c(=O)n(NC(=O)c3cnc(N)nc3)c12.
What is the InChIKey of 2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is MTWPYQUADURHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O5/c1-27-20(31)16-6-5-14(4-3-7-28-8-10-34-11-9-28)18(33-2)17(16)29(22(27)32)26-19(30)15-12-24-21(23)25-13-15/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,26,30)(H2,23,24,25).
What are the key properties of 2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide?
2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 469.50 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 154963220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).