2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C13H16ClN3S — CID 114109137

IUPAC2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCC1(CNc2nc(Cl)nc3sccc23)CCC1
InChIInChI=1S/C13H16ClN3S/c1-2-13(5-3-6-13)8-15-10-9-4-7-18-11(9)17-12(14)16-10/h4,7H,2-3,5-6,8H2,1H3,(H,15,16,17)
InChIKeyMEKCFYHSDWYTPJ-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.34
Rot. Bonds4

About 2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 114109137) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID114109137
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCC1(CNc2nc(Cl)nc3sccc23)CCC1
InChIInChI=1S/C13H16ClN3S/c1-2-13(5-3-6-13)8-15-10-9-4-7-18-11(9)17-12(14)16-10/h4,7H,2-3,5-6,8H2,1H3,(H,15,16,17)
InChIKeyMEKCFYHSDWYTPJ-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103329315
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
2-chloro-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321517
[1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 103329348
4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327918
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329346
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide
CID 103320684
3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145573
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 114109137) is 2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCC1(CNc2nc(Cl)nc3sccc23)CCC1.
What is the InChIKey of 2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MEKCFYHSDWYTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-2-13(5-3-6-13)8-15-10-9-4-7-18-11(9)17-12(14)16-10/h4,7H,2-3,5-6,8H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 281.81 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 114109137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).