4-indazol-1-yl-5-methylpyrimidin-2-amine

C12H11N5 — CID 80856893

IUPAC4-indazol-1-yl-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1-n1ncc2ccccc21
InChIInChI=1S/C12H11N5/c1-8-6-14-12(13)16-11(8)17-10-5-3-2-4-9(10)7-15-17/h2-7H,1H3,(H2,13,14,16)
InChIKeyNGEXUSLLKBGQQZ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.71
Rot. Bonds1

About 4-indazol-1-yl-5-methylpyrimidin-2-amine

4-indazol-1-yl-5-methylpyrimidin-2-amine (PubChem CID 80856893) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-indazol-1-yl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-indazol-1-yl-5-methylpyrimidin-2-amine
PubChem CID80856893
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name4-indazol-1-yl-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1-n1ncc2ccccc21
InChIInChI=1S/C12H11N5/c1-8-6-14-12(13)16-11(8)17-10-5-3-2-4-9(10)7-15-17/h2-7H,1H3,(H2,13,14,16)
InChIKeyNGEXUSLLKBGQQZ-UHFFFAOYSA-N
XLogP1.71
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-indazol-1-yl-5-methylpyrimidin-2-amine?
The IUPAC name of 4-indazol-1-yl-5-methylpyrimidin-2-amine (CID 80856893) is 4-indazol-1-yl-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-indazol-1-yl-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-indazol-1-yl-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1-n1ncc2ccccc21.
What is the InChIKey of 4-indazol-1-yl-5-methylpyrimidin-2-amine?
The InChIKey is NGEXUSLLKBGQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-8-6-14-12(13)16-11(8)17-10-5-3-2-4-9(10)7-15-17/h2-7H,1H3,(H2,13,14,16).
What are the key properties of 4-indazol-1-yl-5-methylpyrimidin-2-amine?
4-indazol-1-yl-5-methylpyrimidin-2-amine has a molecular weight of 225.26 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indazol-1-yl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80856893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).