tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane

C22H39N5OSn — CID 141284313

IUPACtributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc(N2CCOCC2)c2ncn(C)c2n1
InChIInChI=1S/C10H12N5O.3C4H9.Sn/c1-14-7-13-8-9(14)11-6-12-10(8)15-2-4-16-5-3-15;3*1-3-4-2;/h7H,2-5H2,1H3;3*1,3-4H2,2H3;
InChIKeyYPFCTPLVGJBAHI-UHFFFAOYSA-N
MW508.30 g/mol
LogP4.26
Rot. Bonds11

About tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane

tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane (PubChem CID 141284313) has the molecular formula C22H39N5OSn and a molecular weight of 508.30 g/mol. Its IUPAC name is tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane.

Molecular Properties

Compound Nametributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane
PubChem CID141284313
Molecular FormulaC22H39N5OSn
Molecular Weight508.30 g/mol
Exact Mass509.22
IUPAC Nametributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc(N2CCOCC2)c2ncn(C)c2n1
InChIInChI=1S/C10H12N5O.3C4H9.Sn/c1-14-7-13-8-9(14)11-6-12-10(8)15-2-4-16-5-3-15;3*1-3-4-2;/h7H,2-5H2,1H3;3*1,3-4H2,2H3;
InChIKeyYPFCTPLVGJBAHI-UHFFFAOYSA-N
XLogP4.26
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tributyl-[4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]stannane
CID 59606055
tributyl-(5-morpholin-4-yl-2-pyridinyl)stannane
CID 73357508
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol
CID 59605560
N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 175657471
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
3-(2-chloro-6-morpholin-4-ylpurin-9-yl)propanoic acid
CID 123591133
4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine
CID 69090766
2-[6-morpholin-4-yl-2-(pentanoylamino)purin-9-yl]acetic acid
CID 53320439
N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine
CID 15016760
tributyl-(5-morpholin-4-ylthiophen-2-yl)stannane
CID 152759929
4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine
CID 163441360

Frequently Asked Questions

What is the IUPAC name of tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane?
The IUPAC name of tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane (CID 141284313) is tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane.
What is the SMILES notation for tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane?
The canonical SMILES for tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1nc(N2CCOCC2)c2ncn(C)c2n1.
What is the InChIKey of tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane?
The InChIKey is YPFCTPLVGJBAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N5O.3C4H9.Sn/c1-14-7-13-8-9(14)11-6-12-10(8)15-2-4-16-5-3-15;3*1-3-4-2;/h7H,2-5H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane?
tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane has a molecular weight of 508.30 g/mol, XLogP of 4.26, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane is sourced from PubChem (CID 141284313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).