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

C17H16N6O2 — CID 86346192

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCc1cc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
InChIInChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21)
InChIKeyFVKOYFLAKSGBBV-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.33
Rot. Bonds5

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

4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 86346192) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID86346192
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCc1cc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
InChIInChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21)
InChIKeyFVKOYFLAKSGBBV-UHFFFAOYSA-N
XLogP2.33
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(6-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887024
5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887619
4-(4-Ethoxy-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-furazan-3-ylamine
CID 44396990
5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887511
4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118335018
4-[(5-Methyl-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
CID 121401340
5-[(3-Methoxy-2-pyridinyl)methyl]-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]pyrrolo[3,2-d]pyrimidin-2-amine
CID 121401343
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)pyrrolo[3,2-b]pyridine-1-carboxamide
CID 127045059
4-[(5-Methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-[(pyridin-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 121401335
4-(1-Ethyl-4-phenoxy-1H-imidazo[4,5-c]pyridin-2-yl)-furazan-3-ylamine
CID 44397176
6-{[(3S)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]oxy}-9-ethyl-8-(5-methoxypyridin-2-yl)-9H-purine
CID 90166545
8-(6-methoxypyridin-3-yl)-9-methyl-6-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}-9H-purine
CID 90166685

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine (CID 86346192) is 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine is Cc1cc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is FVKOYFLAKSGBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 336.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 86346192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).