(2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine

C13H13N5 — CID 83189252

IUPAC(2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine
SMILESCc1nc(-n2ncc3ccccc32)ncc1CN
InChIInChI=1S/C13H13N5/c1-9-11(6-14)7-15-13(17-9)18-12-5-3-2-4-10(12)8-16-18/h2-5,7-8H,6,14H2,1H3
InChIKeyPAQYDGSAVQYMHX-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.58
Rot. Bonds2

About (2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine

(2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine (PubChem CID 83189252) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is (2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound Name(2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine
PubChem CID83189252
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name(2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine
SMILESCc1nc(-n2ncc3ccccc32)ncc1CN
InChIInChI=1S/C13H13N5/c1-9-11(6-14)7-15-13(17-9)18-12-5-3-2-4-10(12)8-16-18/h2-5,7-8H,6,14H2,1H3
InChIKeyPAQYDGSAVQYMHX-UHFFFAOYSA-N
XLogP1.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine?
The IUPAC name of (2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine (CID 83189252) is (2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine.
What is the SMILES notation for (2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine?
The canonical SMILES for (2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine is Cc1nc(-n2ncc3ccccc32)ncc1CN.
What is the InChIKey of (2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine?
The InChIKey is PAQYDGSAVQYMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-11(6-14)7-15-13(17-9)18-12-5-3-2-4-10(12)8-16-18/h2-5,7-8H,6,14H2,1H3.
What are the key properties of (2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine?
(2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine has a molecular weight of 239.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 83189252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).