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

C24H29N7O5 — CID 162701360

About 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

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 (PubChem CID 162701360) has the molecular formula C24H29N7O5 and a molecular weight of 495.54 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162701360
• Molecular Formula: C24H29N7O5
• Molecular Weight: 495.54 g/mol
• Exact Mass: 495.22
• IUPAC Name: 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
• SMILES: COc1c(OCCN2CCC3(CC2)COC3)ccc2c(=O)n(C)c(NC(=O)c3cnc(N)nc3)nc12
• InChI: InChI=1S/C24H29N7O5/c1-30-21(33)16-3-4-17(36-10-9-31-7-5-24(6-8-31)13-35-14-24)19(34-2)18(16)28-23(30)29-20(32)15-11-26-22(25)27-12-15/h3-4,11-12H,5-10,13-14H2,1-2H3,(H2,25,26,27)(H,28,29,32)
• InChIKey: MTVNFNXCBQQJRH-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 146.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.54
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1c(OCCN2CCC3(CC2)COC3)ccc2c(=O)n(C)c(NC(=O)c3cnc(N)nc3)nc12.

What is the InChIKey of 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?

The InChIKey is MTVNFNXCBQQJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O5/c1-30-21(33)16-3-4-17(36-10-9-31-7-5-24(6-8-31)13-35-14-24)19(34-2)18(16)28-23(30)29-20(32)15-11-26-22(25)27-12-15/h3-4,11-12H,5-10,13-14H2,1-2H3,(H2,25,26,27)(H,28,29,32).

What are the key properties of 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?

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 has a molecular weight of 495.54 g/mol, XLogP of 1.06, 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-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 162701360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).