3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol

C14H18ClN3OS — CID 103322667

IUPAC3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCCc1cc2c(NC3CC(O)C3(C)C)nc(Cl)nc2s1
InChIInChI=1S/C14H18ClN3OS/c1-4-7-5-8-11(17-13(15)18-12(8)20-7)16-9-6-10(19)14(9,2)3/h5,9-10,19H,4,6H2,1-3H3,(H,16,17,18)
InChIKeyAXUVLRIWZKXHIY-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.48
Rot. Bonds3

About 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 103322667) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID103322667
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCCc1cc2c(NC3CC(O)C3(C)C)nc(Cl)nc2s1
InChIInChI=1S/C14H18ClN3OS/c1-4-7-5-8-11(17-13(15)18-12(8)20-7)16-9-6-10(19)14(9,2)3/h5,9-10,19H,4,6H2,1-3H3,(H,16,17,18)
InChIKeyAXUVLRIWZKXHIY-UHFFFAOYSA-N
XLogP3.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol with MolForge

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Related Compounds

2-chloro-N-(2,2-dimethylcyclohexyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103322099
2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320521
2-chloro-6-ethyl-N-(thiolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322745
2-chloro-6-ethyl-N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321891
3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 103321973
2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321723
2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320494
2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321272
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630356
2-chloro-N-(2-cyclopentylethyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320769
2-chloro-6-ethyl-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103320947
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol (CID 103322667) is 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol is CCc1cc2c(NC3CC(O)C3(C)C)nc(Cl)nc2s1.
What is the InChIKey of 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is AXUVLRIWZKXHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-4-7-5-8-11(17-13(15)18-12(8)20-7)16-9-6-10(19)14(9,2)3/h5,9-10,19H,4,6H2,1-3H3,(H,16,17,18).
What are the key properties of 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 311.84 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 103322667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).