5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine

C14H16N6O — CID 69092183

IUPAC5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOC(C)c1nc(N)nc(N)c1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H16N6O/c1-7(21-2)12-11(13(15)19-14(16)18-12)8-3-4-9-6-17-20-10(9)5-8/h3-7H,1-2H3,(H,17,20)(H4,15,16,18,19)
InChIKeyOTXWKXJHGCJKIC-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.89
Rot. Bonds3

About 5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine

5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine (PubChem CID 69092183) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine
PubChem CID69092183
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOC(C)c1nc(N)nc(N)c1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H16N6O/c1-7(21-2)12-11(13(15)19-14(16)18-12)8-3-4-9-6-17-20-10(9)5-8/h3-7H,1-2H3,(H,17,20)(H4,15,16,18,19)
InChIKeyOTXWKXJHGCJKIC-UHFFFAOYSA-N
XLogP1.89
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride
CID 69058745
5-(1H-indazol-6-yl)-1-propan-2-ylindazol-3-amine
CID 175967157
methyl 2-(1H-indazol-6-yl)propanoate
CID 70809324
4-(1H-indazol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 118937091
6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 167249982
6-(1H-indazol-6-yl)-2-methylquinoline
CID 167950878
ethane;6-methoxy-1H-indazole
CID 144719676
6-(1H-indazol-6-yl)pyrimidin-4-amine
CID 127263726
4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 50948381
3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 141364781
N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
CID 115606919
3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269174

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine (CID 69092183) is 5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine is COC(C)c1nc(N)nc(N)c1-c1ccc2cn[nH]c2c1.
What is the InChIKey of 5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is OTXWKXJHGCJKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-7(21-2)12-11(13(15)19-14(16)18-12)8-3-4-9-6-17-20-10(9)5-8/h3-7H,1-2H3,(H,17,20)(H4,15,16,18,19).
What are the key properties of 5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine?
5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 284.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-6-yl)-6-(1-methoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69092183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).