2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide

C20H21N7O5 — CID 154973796

IUPAC2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
SMILESCNC(=O)COc1ccc2c(=O)n(C3CC3)c(NC(=O)c3cnc(N)nc3)nc2c1OC
InChIInChI=1S/C20H21N7O5/c1-22-14(28)9-32-13-6-5-12-15(16(13)31-2)25-20(27(18(12)30)11-3-4-11)26-17(29)10-7-23-19(21)24-8-10/h5-8,11H,3-4,9H2,1-2H3,(H,22,28)(H2,21,23,24)(H,25,26,29)
InChIKeyARUCAUAIKLXTHP-UHFFFAOYSA-N
MW439.43 g/mol
LogP0.49
Rot. Bonds7

About 2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide

2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide (PubChem CID 154973796) has the molecular formula C20H21N7O5 and a molecular weight of 439.43 g/mol. Its IUPAC name is 2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
PubChem CID154973796
Molecular FormulaC20H21N7O5
Molecular Weight439.43 g/mol
Exact Mass439.16
IUPAC Name2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
SMILESCNC(=O)COc1ccc2c(=O)n(C3CC3)c(NC(=O)c3cnc(N)nc3)nc2c1OC
InChIInChI=1S/C20H21N7O5/c1-22-14(28)9-32-13-6-5-12-15(16(13)31-2)25-20(27(18(12)30)11-3-4-11)26-17(29)10-7-23-19(21)24-8-10/h5-8,11H,3-4,9H2,1-2H3,(H,22,28)(H2,21,23,24)(H,25,26,29)
InChIKeyARUCAUAIKLXTHP-UHFFFAOYSA-N
XLogP0.49
TPSA163.35 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide
CID 166812233
2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide
CID 154973811
2-amino-N-[7-[2-(methanesulfonamido)ethoxy]-8-methoxy-3-methyl-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 154963242
2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 162701278
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-(difluoromethoxy)-3-ethyl-7-hydroxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 162701372
N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 162346605
2-amino-N-(16-ethyl-17-oxo-2,11-dioxa-14,16-diazatricyclo[10.8.0.013,18]icosa-1(12),13(18),14,19-tetraen-15-yl)pyrimidine-5-carboxamide
CID 154973715
2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide
CID 154973696
5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide
CID 162701391
2-amino-N-[6-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-5-methoxy-2-methyl-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide
CID 154973837

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide (CID 154973796) is 2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide is CNC(=O)COc1ccc2c(=O)n(C3CC3)c(NC(=O)c3cnc(N)nc3)nc2c1OC.
What is the InChIKey of 2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is ARUCAUAIKLXTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O5/c1-22-14(28)9-32-13-6-5-12-15(16(13)31-2)25-20(27(18(12)30)11-3-4-11)26-17(29)10-7-23-19(21)24-8-10/h5-8,11H,3-4,9H2,1-2H3,(H,22,28)(H2,21,23,24)(H,25,26,29).
What are the key properties of 2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?
2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 439.43 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 154973796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).