2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine

C42H51ClN14O4 — CID 159982578

About 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[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];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine (PubChem CID 159982578) has the molecular formula C42H51ClN14O4 and a molecular weight of 851.42 g/mol. Its IUPAC name is 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[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];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
• PubChem CID: 159982578
• Molecular Formula: C42H51ClN14O4
• Molecular Weight: 851.42 g/mol
• Exact Mass: 850.39
• IUPAC Name: 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
• SMILES: CN1c2nc(Cl)ncc2OCC12CCCC2.COc1cc(N)cnc1-c1cnn(C)c1.COc1cc(Nc2ncc3c(n2)N(C)C2(CCCC2)CO3)cnc1-c1cnn(C)c1
• InChI: InChI=1S/C21H25N7O2.C11H14ClN3O.C10H12N4O/c1-27-12-14(9-24-27)18-16(29-3)8-15(10-22-18)25-20-23-11-17-19(26-20)28(2)21(13-30-17)6-4-5-7-21;1-15-9-8(6-13-10(12)14-9)16-7-11(15)4-2-3-5-11;1-14-6-7(4-13-14)10-9(15-2)3-8(11)5-12-10/h8-12H,4-7,13H2,1-3H3,(H,23,25,26);6H,2-5,7H2,1H3;3-6H,11H2,1-2H3
• InChIKey: OFYNWFOXZWQAID-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 194.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	851.42
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[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];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine (CID 159982578) is 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[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];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[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];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine is CN1c2nc(Cl)ncc2OCC12CCCC2.COc1cc(N)cnc1-c1cnn(C)c1.COc1cc(Nc2ncc3c(n2)N(C)C2(CCCC2)CO3)cnc1-c1cnn(C)c1.

What is the InChIKey of 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine?

The InChIKey is OFYNWFOXZWQAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2.C11H14ClN3O.C10H12N4O/c1-27-12-14(9-24-27)18-16(29-3)8-15(10-22-18)25-20-23-11-17-19(26-20)28(2)21(13-30-17)6-4-5-7-21;1-15-9-8(6-13-10(12)14-9)16-7-11(15)4-2-3-5-11;1-14-6-7(4-13-14)10-9(15-2)3-8(11)5-12-10/h8-12H,4-7,13H2,1-3H3,(H,23,25,26);6H,2-5,7H2,1H3;3-6H,11H2,1-2H3.

What are the key properties of 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[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];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine has a molecular weight of 851.42 g/mol, XLogP of 6.51, 6 rotatable bonds, 2 hydrogen bond donors, and 18 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];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine is sourced from PubChem (CID 159982578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).