[1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol

C13H16ClN3OS — CID 103321492

IUPAC[1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESCc1cc2c(NC3(CO)CCCC3)nc(Cl)nc2s1
InChIInChI=1S/C13H16ClN3OS/c1-8-6-9-10(15-12(14)16-11(9)19-8)17-13(7-18)4-2-3-5-13/h6,18H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyXUGPOLZPTXSQDM-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.37
Rot. Bonds3

About [1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol

[1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol (PubChem CID 103321492) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is [1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol
PubChem CID103321492
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name[1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESCc1cc2c(NC3(CO)CCCC3)nc(Cl)nc2s1
InChIInChI=1S/C13H16ClN3OS/c1-8-6-9-10(15-12(14)16-11(9)19-8)17-13(7-18)4-2-3-5-13/h6,18H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyXUGPOLZPTXSQDM-UHFFFAOYSA-N
XLogP3.37
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol (CID 103321492) is [1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol is Cc1cc2c(NC3(CO)CCCC3)nc(Cl)nc2s1.
What is the InChIKey of [1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol?
The InChIKey is XUGPOLZPTXSQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-8-6-9-10(15-12(14)16-11(9)19-8)17-13(7-18)4-2-3-5-13/h6,18H,2-5,7H2,1H3,(H,15,16,17).
What are the key properties of [1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol?
[1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol has a molecular weight of 297.81 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 103321492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).