5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin

C26H38N6Sn — CID 176655110

IUPAC5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cccc(-c2ccnc(Nc3ccn(C)n3)n2)n1
InChIInChI=1S/C13H11N6.C13H27.Sn/c1-19-9-6-12(18-19)17-13-15-8-5-11(16-13)10-4-2-3-7-14-10;1-4-7-10-13(11-8-5-2)12-9-6-3;/h2-6,8-9H,1H3,(H,15,16,17,18);4-12H2,1-3H3;
InChIKeyVBZKZDRUKXFQFP-UHFFFAOYSA-N
MW553.34 g/mol
LogP6.07
Rot. Bonds14

About 5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin

5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin (PubChem CID 176655110) has the molecular formula C26H38N6Sn and a molecular weight of 553.34 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin
PubChem CID176655110
Molecular FormulaC26H38N6Sn
Molecular Weight553.34 g/mol
Exact Mass554.22
IUPAC Name5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cccc(-c2ccnc(Nc3ccn(C)n3)n2)n1
InChIInChI=1S/C13H11N6.C13H27.Sn/c1-19-9-6-12(18-19)17-13-15-8-5-11(16-13)10-4-2-3-7-14-10;1-4-7-10-13(11-8-5-2)12-9-6-3;/h2-6,8-9H,1H3,(H,15,16,17,18);4-12H2,1-3H3;
InChIKeyVBZKZDRUKXFQFP-UHFFFAOYSA-N
XLogP6.07
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.34
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin?
The IUPAC name of 5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin (CID 176655110) is 5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin.
What is the SMILES notation for 5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin?
The canonical SMILES for 5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin is CCCCC(CCCC)(CCCC)[Sn]c1cccc(-c2ccnc(Nc3ccn(C)n3)n2)n1.
What is the InChIKey of 5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin?
The InChIKey is VBZKZDRUKXFQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N6.C13H27.Sn/c1-19-9-6-12(18-19)17-13-15-8-5-11(16-13)10-4-2-3-7-14-10;1-4-7-10-13(11-8-5-2)12-9-6-3;/h2-6,8-9H,1H3,(H,15,16,17,18);4-12H2,1-3H3;.
What are the key properties of 5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin?
5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin has a molecular weight of 553.34 g/mol, XLogP of 6.07, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin is sourced from PubChem (CID 176655110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).