[(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid

C16H20N4O3S — CID 146636372

IUPAC[(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid
SMILESCN(c1ncnc2sc(C3COC3)cc12)[C@@H]1CC[C@H](NC(=O)O)C1
InChIInChI=1S/C16H20N4O3S/c1-20(11-3-2-10(4-11)19-16(21)22)14-12-5-13(9-6-23-7-9)24-15(12)18-8-17-14/h5,8-11,19H,2-4,6-7H2,1H3,(H,21,22)/t10-,11+/m0/s1
InChIKeyAAUVERRXNWELLL-WDEREUQCSA-N
MW348.43 g/mol
LogP2.43
Rot. Bonds4

About [(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid

[(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid (PubChem CID 146636372) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is [(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid
PubChem CID146636372
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name[(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid
SMILESCN(c1ncnc2sc(C3COC3)cc12)[C@@H]1CC[C@H](NC(=O)O)C1
InChIInChI=1S/C16H20N4O3S/c1-20(11-3-2-10(4-11)19-16(21)22)14-12-5-13(9-6-23-7-9)24-15(12)18-8-17-14/h5,8-11,19H,2-4,6-7H2,1H3,(H,21,22)/t10-,11+/m0/s1
InChIKeyAAUVERRXNWELLL-WDEREUQCSA-N
XLogP2.43
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid?
The IUPAC name of [(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid (CID 146636372) is [(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid.
What is the SMILES notation for [(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid?
The canonical SMILES for [(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid is CN(c1ncnc2sc(C3COC3)cc12)[C@@H]1CC[C@H](NC(=O)O)C1.
What is the InChIKey of [(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid?
The InChIKey is AAUVERRXNWELLL-WDEREUQCSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-20(11-3-2-10(4-11)19-16(21)22)14-12-5-13(9-6-23-7-9)24-15(12)18-8-17-14/h5,8-11,19H,2-4,6-7H2,1H3,(H,21,22)/t10-,11+/m0/s1.
What are the key properties of [(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid?
[(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid has a molecular weight of 348.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid is sourced from PubChem (CID 146636372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).