(5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one

C15H22N4OS — CID 158505889

IUPAC(5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one
SMILESCCCC[C@H](CCC(C)=O)Nc1nc(N)nc2ccsc12
InChIInChI=1S/C15H22N4OS/c1-3-4-5-11(7-6-10(2)20)17-14-13-12(8-9-21-13)18-15(16)19-14/h8-9,11H,3-7H2,1-2H3,(H3,16,17,18,19)/t11-/m1/s1
InChIKeyVLBIMLVDVSHRTM-LLVKDONJSA-N
MW306.44 g/mol
LogP3.61
Rot. Bonds8

About (5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one

(5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one (PubChem CID 158505889) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is (5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one.

Molecular Properties

Compound Name(5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one
PubChem CID158505889
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name(5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one
SMILESCCCC[C@H](CCC(C)=O)Nc1nc(N)nc2ccsc12
InChIInChI=1S/C15H22N4OS/c1-3-4-5-11(7-6-10(2)20)17-14-13-12(8-9-21-13)18-15(16)19-14/h8-9,11H,3-7H2,1-2H3,(H3,16,17,18,19)/t11-/m1/s1
InChIKeyVLBIMLVDVSHRTM-LLVKDONJSA-N
XLogP3.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 121402886
4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750530
4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750443
N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine
CID 114138437
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide
CID 122585199
(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 129103735
(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122585335
4-[2-amino-6-[[(3S)-1-[tert-butyl(dimethyl)silyl]oxyheptan-3-yl]amino]-5-methoxypyrimidin-4-yl]butan-2-one
CID 157423335
(2S)-2-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol
CID 71041915
3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol
CID 123847940
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one
CID 157383740

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one?
The IUPAC name of (5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one (CID 158505889) is (5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one.
What is the SMILES notation for (5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one?
The canonical SMILES for (5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one is CCCC[C@H](CCC(C)=O)Nc1nc(N)nc2ccsc12.
What is the InChIKey of (5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one?
The InChIKey is VLBIMLVDVSHRTM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-4-5-11(7-6-10(2)20)17-14-13-12(8-9-21-13)18-15(16)19-14/h8-9,11H,3-7H2,1-2H3,(H3,16,17,18,19)/t11-/m1/s1.
What are the key properties of (5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one?
(5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one has a molecular weight of 306.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one is sourced from PubChem (CID 158505889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).