N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C71H85N21O7 — CID 158227320

About N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 158227320) has the molecular formula C71H85N21O7 and a molecular weight of 1344.60 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 158227320
• Molecular Formula: C71H85N21O7
• Molecular Weight: 1344.60 g/mol
• Exact Mass: 1343.69
• IUPAC Name: N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: COCCNc1nc(C)nc2ccn(Cc3cc(OC)ccn3)c12.COCCNc1nc(C)nc2ccn(Cc3ccncc3OC)c12.COCCNc1nc(C)nc2ccn(Cc3ncccc3OC)c12.Cc1nc(NCc2cc(C(C)C)on2)c2c(ccn2Cc2ccccn2)n1
• InChI: InChI=1S/C20H22N6O.3C17H21N5O2/c1-13(2)18-10-16(25-27-18)11-22-20-19-17(23-14(3)24-20)7-9-26(19)12-15-6-4-5-8-21-15;1-12-20-15-5-8-22(11-13-10-14(24-3)4-6-18-13)16(15)17(21-12)19-7-9-23-2;1-12-20-14-5-8-22(11-13-4-6-18-10-15(13)24-3)16(14)17(21-12)19-7-9-23-2;1-12-20-13-6-9-22(11-14-15(24-3)5-4-7-18-14)16(13)17(21-12)19-8-10-23-2/h4-10,13H,11-12H2,1-3H3,(H,22,23,24);2*4-6,8,10H,7,9,11H2,1-3H3,(H,19,20,21);4-7,9H,8,10-11H2,1-3H3,(H,19,20,21)
• InChIKey: GDYLMCBZGNNVQW-UHFFFAOYSA-N
• XLogP: 10.66
• TPSA: 303.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1344.60
LogP ≤ 5	10.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The IUPAC name of N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 158227320) is N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The canonical SMILES for N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is COCCNc1nc(C)nc2ccn(Cc3cc(OC)ccn3)c12.COCCNc1nc(C)nc2ccn(Cc3ccncc3OC)c12.COCCNc1nc(C)nc2ccn(Cc3ncccc3OC)c12.Cc1nc(NCc2cc(C(C)C)on2)c2c(ccn2Cc2ccccn2)n1.

What is the InChIKey of N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The InChIKey is GDYLMCBZGNNVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O.3C17H21N5O2/c1-13(2)18-10-16(25-27-18)11-22-20-19-17(23-14(3)24-20)7-9-26(19)12-15-6-4-5-8-21-15;1-12-20-15-5-8-22(11-13-10-14(24-3)4-6-18-13)16(15)17(21-12)19-7-9-23-2;1-12-20-14-5-8-22(11-13-4-6-18-10-15(13)24-3)16(14)17(21-12)19-7-9-23-2;1-12-20-13-6-9-22(11-14-15(24-3)5-4-7-18-14)16(13)17(21-12)19-8-10-23-2/h4-10,13H,11-12H2,1-3H3,(H,22,23,24);2*4-6,8,10H,7,9,11H2,1-3H3,(H,19,20,21);4-7,9H,8,10-11H2,1-3H3,(H,19,20,21).

What are the key properties of N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 1344.60 g/mol, XLogP of 10.66, 27 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 158227320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).