2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole — IUPAC name, SMILES, InChIKey & properties

Name: 2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole

2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole (PubChem CID 157385410) has the molecular formula C74H72N20O9S and a molecular weight of 1417.59 g/mol. Its IUPAC name is 2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name	2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole
PubChem CID	157385410
Molecular Formula	C74H72N20O9S
Molecular Weight	1417.59 g/mol
Exact Mass	1416.55
IUPAC Name	2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole
SMILES	COc1cccnc1Cn1ccc2nc(C)nc(OCc3cc(C)on3)c21.COc1cccnc1Cn1ccc2nc(C)nc(OCc3ncc(C)o3)c21.Cc1nc(OCc2ncc(C)o2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(OCc2ncc(C)s2)c2c(ccn2Cc2ccccn2)n1
InChI	InChI=1S/2C19H19N5O3.C18H17N5O2.C18H17N5OS/c1-12-9-14(23-27-12)11-26-19-18-15(21-13(2)22-19)6-8-24(18)10-16-17(25-3)5-4-7-20-16;1-12-9-21-17(27-12)11-26-19-18-14(22-13(2)23-19)6-8-24(18)10-15-16(25-3)5-4-7-20-15;21-12-9-20-16(25-12)11-24-18-17-15(21-13(2)22-18)6-8-23(17)10-14-5-3-4-7-19-14/h24-9H,10-11H2,1-3H3;2*3-9H,10-11H2,1-2H3
InChIKey	BLJIRJNRZZTQCC-UHFFFAOYSA-N
XLogP	12.72
TPSA	320.76 Å²
H-Bond Donors
H-Bond Acceptors	30
Rotatable Bonds	22
Heavy Atoms	104
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1417.59
LogP ≤ 5	12.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Analyze 2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole?

The IUPAC name of 2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole (CID 157385410) is 2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole.

What is the SMILES notation for 2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole?

The canonical SMILES for 2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole is COc1cccnc1Cn1ccc2nc(C)nc(OCc3cc(C)on3)c21.COc1cccnc1Cn1ccc2nc(C)nc(OCc3ncc(C)o3)c21.Cc1nc(OCc2ncc(C)o2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(OCc2ncc(C)s2)c2c(ccn2Cc2ccccn2)n1.

What is the InChIKey of 2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole?

The InChIKey is BLJIRJNRZZTQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19N5O3.C18H17N5O2.C18H17N5OS/c1-12-9-14(23-27-12)11-26-19-18-15(21-13(2)22-19)6-8-24(18)10-16-17(25-3)5-4-7-20-16;1-12-9-21-17(27-12)11-26-19-18-14(22-13(2)23-19)6-8-24(18)10-15-16(25-3)5-4-7-20-15;2*1-12-9-20-16(25-12)11-24-18-17-15(21-13(2)22-18)6-8-23(17)10-14-5-3-4-7-19-14/h2*4-9H,10-11H2,1-3H3;2*3-9H,10-11H2,1-2H3.

What are the key properties of 2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole?

Where does this data come from?

All data for 2-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,3-oxazole;3-[[5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-oxazole;5-methyl-2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,3-thiazole is sourced from PubChem (CID 157385410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).