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

C21H34ClN5Sn — CID 176655116

IUPAC5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cc(Cl)nc(Nc2ccn(C)n2)n1
InChIInChI=1S/C13H27.C8H7ClN5.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-14-5-3-7(13-14)12-8-10-4-2-6(9)11-8;/h4-12H2,1-3H3;2-3,5H,1H3,(H,10,11,12,13);
InChIKeyISMYVAHJTOVPOI-UHFFFAOYSA-N
MW510.70 g/mol
LogP5.67
Rot. Bonds13

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

5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin (PubChem CID 176655116) has the molecular formula C21H34ClN5Sn and a molecular weight of 510.70 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin
PubChem CID176655116
Molecular FormulaC21H34ClN5Sn
Molecular Weight510.70 g/mol
Exact Mass511.15
IUPAC Name5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cc(Cl)nc(Nc2ccn(C)n2)n1
InChIInChI=1S/C13H27.C8H7ClN5.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-14-5-3-7(13-14)12-8-10-4-2-6(9)11-8;/h4-12H2,1-3H3;2-3,5H,1H3,(H,10,11,12,13);
InChIKeyISMYVAHJTOVPOI-UHFFFAOYSA-N
XLogP5.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.70
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin?
The IUPAC name of 5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin (CID 176655116) is 5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin.
What is the SMILES notation for 5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin?
The canonical SMILES for 5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin is CCCCC(CCCC)(CCCC)[Sn]c1cc(Cl)nc(Nc2ccn(C)n2)n1.
What is the InChIKey of 5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin?
The InChIKey is ISMYVAHJTOVPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C8H7ClN5.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-14-5-3-7(13-14)12-8-10-4-2-6(9)11-8;/h4-12H2,1-3H3;2-3,5H,1H3,(H,10,11,12,13);.
What are the key properties of 5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin?
5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin has a molecular weight of 510.70 g/mol, XLogP of 5.67, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-[6-chloro-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]tin is sourced from PubChem (CID 176655116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).