4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine

C8H10N4O — CID 83874847

IUPAC4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine
SMILESCOc1nc(N)nc2ccn(C)c12
InChIInChI=1S/C8H10N4O/c1-12-4-3-5-6(12)7(13-2)11-8(9)10-5/h3-4H,1-2H3,(H2,9,10,11)
InChIKeyNCHLGDQMPACVSR-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.56
Rot. Bonds1

About 4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine

4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 83874847) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID83874847
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine
SMILESCOc1nc(N)nc2ccn(C)c12
InChIInChI=1S/C8H10N4O/c1-12-4-3-5-6(12)7(13-2)11-8(9)10-5/h3-4H,1-2H3,(H2,9,10,11)
InChIKeyNCHLGDQMPACVSR-UHFFFAOYSA-N
XLogP0.56
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5,6,7-tetramethylpyrrolo[3,2-b]pyridine
CID 22947524
5-chloro-4-methoxyquinazolin-2-amine
CID 84780949
5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 140546052
azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride
CID 3081836
4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
CID 176574895
5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine
CID 91243415
2-(2-(18F)fluoro-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-4-methoxy-N-methyl(18F)aniline
CID 155614031
5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane
CID 143328515
6-(2,6-dimethoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 69145564
2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 141445994
N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 71188369
5,7-difluoro-1-methylindol-6-amine
CID 117274554

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine (CID 83874847) is 4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine is COc1nc(N)nc2ccn(C)c12.
What is the InChIKey of 4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is NCHLGDQMPACVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-12-4-3-5-6(12)7(13-2)11-8(9)10-5/h3-4H,1-2H3,(H2,9,10,11).
What are the key properties of 4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine?
4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 178.19 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 83874847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).