1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C13H16ClN3OS — CID 103321912

IUPAC1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1cc2c(NCC3(O)CCCC3)nc(Cl)nc2s1
InChIInChI=1S/C13H16ClN3OS/c1-8-6-9-10(16-12(14)17-11(9)19-8)15-7-13(18)4-2-3-5-13/h6,18H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyQGJFPVPRVLIACQ-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.37
Rot. Bonds3

About 1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 103321912) 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]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID103321912
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1cc2c(NCC3(O)CCCC3)nc(Cl)nc2s1
InChIInChI=1S/C13H16ClN3OS/c1-8-6-9-10(16-12(14)17-11(9)19-8)15-7-13(18)4-2-3-5-13/h6,18H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyQGJFPVPRVLIACQ-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]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 103321912) is 1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is Cc1cc2c(NCC3(O)CCCC3)nc(Cl)nc2s1.
What is the InChIKey of 1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is QGJFPVPRVLIACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-8-6-9-10(16-12(14)17-11(9)19-8)15-7-13(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]methyl]cyclopentan-1-ol?
1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol 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]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103321912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).