2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide

C22H20N6O4 — CID 154973811

IUPAC2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide
SMILESCOc1c(OCc2ccccc2)ccc2c(=O)n(C)c(NC(=O)c3cnc(N)nc3)nc12
InChIInChI=1S/C22H20N6O4/c1-28-20(30)15-8-9-16(32-12-13-6-4-3-5-7-13)18(31-2)17(15)26-22(28)27-19(29)14-10-24-21(23)25-11-14/h3-11H,12H2,1-2H3,(H2,23,24,25)(H,26,27,29)
InChIKeyOKFGXPQSPNERDY-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.15
Rot. Bonds6

About 2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide

2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide (PubChem CID 154973811) has the molecular formula C22H20N6O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is 2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide
PubChem CID154973811
Molecular FormulaC22H20N6O4
Molecular Weight432.44 g/mol
Exact Mass432.15
IUPAC Name2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide
SMILESCOc1c(OCc2ccccc2)ccc2c(=O)n(C)c(NC(=O)c3cnc(N)nc3)nc12
InChIInChI=1S/C22H20N6O4/c1-28-20(30)15-8-9-16(32-12-13-6-4-3-5-7-13)18(31-2)17(15)26-22(28)27-19(29)14-10-24-21(23)25-11-14/h3-11H,12H2,1-2H3,(H2,23,24,25)(H,26,27,29)
InChIKeyOKFGXPQSPNERDY-UHFFFAOYSA-N
XLogP2.15
TPSA134.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-N-[7-[2-(methanesulfonamido)ethoxy]-8-methoxy-3-methyl-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 154963242
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-7-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 162701360
2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 154973796
N-(4-amino-2-ethyl-5-methoxy-1-oxo-6-phenylmethoxyisoquinolin-3-yl)pyrimidine-5-carboxamide
CID 162701312
2-amino-N-[6-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-5-methoxy-2-methyl-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide
CID 154973837
2-amino-N-ethyl-3-methoxy-4-phenylmethoxybenzamide
CID 154973812
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide
CID 162701391
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
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide (CID 154973811) is 2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide is COc1c(OCc2ccccc2)ccc2c(=O)n(C)c(NC(=O)c3cnc(N)nc3)nc12.
What is the InChIKey of 2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide?
The InChIKey is OKFGXPQSPNERDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4/c1-28-20(30)15-8-9-16(32-12-13-6-4-3-5-7-13)18(31-2)17(15)26-22(28)27-19(29)14-10-24-21(23)25-11-14/h3-11H,12H2,1-2H3,(H2,23,24,25)(H,26,27,29).
What are the key properties of 2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide?
2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 154973811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).