2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine

C41H51ClN14O2 — CID 158107643

About 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine

2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine (PubChem CID 158107643) has the molecular formula C41H51ClN14O2 and a molecular weight of 807.41 g/mol. Its IUPAC name is 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine.

Molecular Properties

• Compound Name: 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
• PubChem CID: 158107643
• Molecular Formula: C41H51ClN14O2
• Molecular Weight: 807.41 g/mol
• Exact Mass: 806.40
• IUPAC Name: 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
• SMILES: C.CN1c2nc(Cl)ncc2OCC12CCCC2.Cc1cn(-c2ccc(N)nc2)cn1.Cc1cn(-c2ccc(Nc3ncc4c(n3)N(C)C3(CCCC3)CO4)nc2)cn1
• InChI: InChI=1S/C20H23N7O.C11H14ClN3O.C9H10N4.CH4/c1-14-11-27(13-23-14)15-5-6-17(21-9-15)24-19-22-10-16-18(25-19)26(2)20(12-28-16)7-3-4-8-20;1-15-9-8(6-13-10(12)14-9)16-7-11(15)4-2-3-5-11;1-7-5-13(6-12-7)8-2-3-9(10)11-4-8;/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,21,22,24,25);6H,2-5,7H2,1H3;2-6H,1H3,(H2,10,11);1H4
• InChIKey: FQAPOGFFPPIEJR-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 175.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	807.41
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine?

The IUPAC name of 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine (CID 158107643) is 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine.

What is the SMILES notation for 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine?

The canonical SMILES for 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine is C.CN1c2nc(Cl)ncc2OCC12CCCC2.Cc1cn(-c2ccc(N)nc2)cn1.Cc1cn(-c2ccc(Nc3ncc4c(n3)N(C)C3(CCCC3)CO4)nc2)cn1.

What is the InChIKey of 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine?

The InChIKey is FQAPOGFFPPIEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O.C11H14ClN3O.C9H10N4.CH4/c1-14-11-27(13-23-14)15-5-6-17(21-9-15)24-19-22-10-16-18(25-19)26(2)20(12-28-16)7-3-4-8-20;1-15-9-8(6-13-10(12)14-9)16-7-11(15)4-2-3-5-11;1-7-5-13(6-12-7)8-2-3-9(10)11-4-8;/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,21,22,24,25);6H,2-5,7H2,1H3;2-6H,1H3,(H2,10,11);1H4.

What are the key properties of 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine?

2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine has a molecular weight of 807.41 g/mol, XLogP of 7.32, 4 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine is sourced from PubChem (CID 158107643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).