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

C19H19N5O3 — CID 121401337

IUPAC5-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCOc1ccccc1Cn1ccc2nc(N)nc(OCc3cc(C)on3)c21
InChIInChI=1S/C19H19N5O3/c1-12-9-14(23-27-12)11-26-18-17-15(21-19(20)22-18)7-8-24(17)10-13-5-3-4-6-16(13)25-2/h3-9H,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyDRWXIFXSIPLHMF-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.95
Rot. Bonds6

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

5-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 121401337) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID121401337
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name5-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCOc1ccccc1Cn1ccc2nc(N)nc(OCc3cc(C)on3)c21
InChIInChI=1S/C19H19N5O3/c1-12-9-14(23-27-12)11-26-18-17-15(21-19(20)22-18)7-8-24(17)10-13-5-3-4-6-16(13)25-2/h3-9H,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyDRWXIFXSIPLHMF-UHFFFAOYSA-N
XLogP2.95
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine (CID 121401337) is 5-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine is COc1ccccc1Cn1ccc2nc(N)nc(OCc3cc(C)on3)c21.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is DRWXIFXSIPLHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12-9-14(23-27-12)11-26-18-17-15(21-19(20)22-18)7-8-24(17)10-13-5-3-4-6-16(13)25-2/h3-9H,10-11H2,1-2H3,(H2,20,21,22).
What are the key properties of 5-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine?
5-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 365.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 121401337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).