5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine

C18H18N6O3 — CID 121401343

IUPAC5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCOc1cccnc1Cn1ccc2nc(N)nc(OCc3ncc(C)o3)c21
InChIInChI=1S/C18H18N6O3/c1-11-8-21-15(27-11)10-26-17-16-12(22-18(19)23-17)5-7-24(16)9-13-14(25-2)4-3-6-20-13/h3-8H,9-10H2,1-2H3,(H2,19,22,23)
InChIKeySUPWHGQWXOTECY-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.34
Rot. Bonds6

About 5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine

5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 121401343) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID121401343
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCOc1cccnc1Cn1ccc2nc(N)nc(OCc3ncc(C)o3)c21
InChIInChI=1S/C18H18N6O3/c1-11-8-21-15(27-11)10-26-17-16-12(22-18(19)23-17)5-7-24(16)9-13-14(25-2)4-3-6-20-13/h3-8H,9-10H2,1-2H3,(H2,19,22,23)
InChIKeySUPWHGQWXOTECY-UHFFFAOYSA-N
XLogP2.34
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine (CID 121401343) is 5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine is COc1cccnc1Cn1ccc2nc(N)nc(OCc3ncc(C)o3)c21.
What is the InChIKey of 5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is SUPWHGQWXOTECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-11-8-21-15(27-11)10-26-17-16-12(22-18(19)23-17)5-7-24(16)9-13-14(25-2)4-3-6-20-13/h3-8H,9-10H2,1-2H3,(H2,19,22,23).
What are the key properties of 5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine?
5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 366.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 121401343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).