8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C22H27N7O2 — CID 144890254

About 8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 144890254) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

• Compound Name: 8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• PubChem CID: 144890254
• Molecular Formula: C22H27N7O2
• Molecular Weight: 421.51 g/mol
• Exact Mass: 421.22
• IUPAC Name: 8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• SMILES: COc1cc(Nc2ncc3c(n2)N(C2CCCC2)C(C)CO3)ncc1-n1cnc(C)c1
• InChI: InChI=1S/C22H27N7O2/c1-14-11-28(13-25-14)17-9-23-20(8-18(17)30-3)26-22-24-10-19-21(27-22)29(15(2)12-31-19)16-6-4-5-7-16/h8-11,13,15-16H,4-7,12H2,1-3H3,(H,23,24,26,27)
• InChIKey: NZIGTGOJFHUECR-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 90.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.51
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The IUPAC name of 8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 144890254) is 8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

What is the SMILES notation for 8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The canonical SMILES for 8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(Nc2ncc3c(n2)N(C2CCCC2)C(C)CO3)ncc1-n1cnc(C)c1.

What is the InChIKey of 8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The InChIKey is NZIGTGOJFHUECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-14-11-28(13-25-14)17-9-23-20(8-18(17)30-3)26-22-24-10-19-21(27-22)29(15(2)12-31-19)16-6-4-5-7-16/h8-11,13,15-16H,4-7,12H2,1-3H3,(H,23,24,26,27).

What are the key properties of 8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 421.51 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 144890254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).