tert-butyl-(2,5-dichloropyrimidin-4-yl)tin

C8H10Cl2N2Sn — CID 169089965

IUPACtert-butyl-(2,5-dichloropyrimidin-4-yl)tin
SMILESCC(C)(C)[Sn]c1nc(Cl)ncc1Cl
InChIInChI=1S/C4HCl2N2.C4H9.Sn/c5-3-1-7-4(6)8-2-3;1-4(2)3;/h1H;1-3H3;
InChIKeyGPUZTAGTYACQAZ-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.33
Rot. Bonds1

About tert-butyl-(2,5-dichloropyrimidin-4-yl)tin

tert-butyl-(2,5-dichloropyrimidin-4-yl)tin (PubChem CID 169089965) has the molecular formula C8H10Cl2N2Sn and a molecular weight of 323.80 g/mol. Its IUPAC name is tert-butyl-(2,5-dichloropyrimidin-4-yl)tin.

Molecular Properties

Compound Nametert-butyl-(2,5-dichloropyrimidin-4-yl)tin
PubChem CID169089965
Molecular FormulaC8H10Cl2N2Sn
Molecular Weight323.80 g/mol
Exact Mass323.92
IUPAC Nametert-butyl-(2,5-dichloropyrimidin-4-yl)tin
SMILESCC(C)(C)[Sn]c1nc(Cl)ncc1Cl
InChIInChI=1S/C4HCl2N2.C4H9.Sn/c5-3-1-7-4(6)8-2-3;1-4(2)3;/h1H;1-3H3;
InChIKeyGPUZTAGTYACQAZ-UHFFFAOYSA-N
XLogP2.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-methoxypyrimidin-4-amine
CID 135137744
(2,5-dichloropyrimidin-4-yl)oxidanium
CID 144945544
2,5-dichloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79632100
2,5-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 79632286
2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 79633418
2,5-dichloro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 79632221
2,5-dichloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 79632690
2,5-dichloro-N-(2-phenylpropyl)pyrimidin-4-amine
CID 104592094
N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 79633335
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine
CID 87338226
2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine
CID 58247423
2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 79632585

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2,5-dichloropyrimidin-4-yl)tin?
The IUPAC name of tert-butyl-(2,5-dichloropyrimidin-4-yl)tin (CID 169089965) is tert-butyl-(2,5-dichloropyrimidin-4-yl)tin.
What is the SMILES notation for tert-butyl-(2,5-dichloropyrimidin-4-yl)tin?
The canonical SMILES for tert-butyl-(2,5-dichloropyrimidin-4-yl)tin is CC(C)(C)[Sn]c1nc(Cl)ncc1Cl.
What is the InChIKey of tert-butyl-(2,5-dichloropyrimidin-4-yl)tin?
The InChIKey is GPUZTAGTYACQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2N2.C4H9.Sn/c5-3-1-7-4(6)8-2-3;1-4(2)3;/h1H;1-3H3;.
What are the key properties of tert-butyl-(2,5-dichloropyrimidin-4-yl)tin?
tert-butyl-(2,5-dichloropyrimidin-4-yl)tin has a molecular weight of 323.80 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,5-dichloropyrimidin-4-yl)tin is sourced from PubChem (CID 169089965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).