5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine

C12H11N5 — CID 166387903

IUPAC5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine
SMILESCc1ncnc(N)c1-c1cccc2[nH]ncc12
InChIInChI=1S/C12H11N5/c1-7-11(12(13)15-6-14-7)8-3-2-4-10-9(8)5-16-17-10/h2-6H,1H3,(H,16,17)(H2,13,14,15)
InChIKeyIYRZRPUTLDHPQS-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.91
Rot. Bonds1

About 5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine

5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine (PubChem CID 166387903) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine
PubChem CID166387903
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine
SMILESCc1ncnc(N)c1-c1cccc2[nH]ncc12
InChIInChI=1S/C12H11N5/c1-7-11(12(13)15-6-14-7)8-3-2-4-10-9(8)5-16-17-10/h2-6H,1H3,(H,16,17)(H2,13,14,15)
InChIKeyIYRZRPUTLDHPQS-UHFFFAOYSA-N
XLogP1.91
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 167756321
1H-indazol-4-amine;dihydrochloride
CID 18779330
5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole
CID 129352529
4-(3-fluoro-2-methoxyphenyl)-1H-indazole
CID 167807069
ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 143782754
N-[4-(1H-indazol-4-yl)phenyl]acetamide
CID 146128615
CID 174665708
CID 174665708
2-(1H-indazol-4-yl)quinazoline
CID 91393961
3-(1H-indazol-4-yl)phenol
CID 83445848
2-amino-5-hydroxy-1-[3-(1H-indazol-4-yl)-4-methylphenyl]pyridin-4-one
CID 155472724
5-(4-methyl-1H-indazol-5-yl)-1H-indazol-3-amine
CID 142763266
1H-indazol-4-amine;2-methylpropanoic acid
CID 159051220

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine (CID 166387903) is 5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine is Cc1ncnc(N)c1-c1cccc2[nH]ncc12.
What is the InChIKey of 5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine?
The InChIKey is IYRZRPUTLDHPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-7-11(12(13)15-6-14-7)8-3-2-4-10-9(8)5-16-17-10/h2-6H,1H3,(H,16,17)(H2,13,14,15).
What are the key properties of 5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine?
5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine has a molecular weight of 225.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 166387903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).