2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C13H16ClN3S2 — CID 103322179

IUPAC2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCC3(C)CCCS3)nc(Cl)nc2s1
InChIInChI=1S/C13H16ClN3S2/c1-8-6-9-10(16-12(14)17-11(9)19-8)15-7-13(2)4-3-5-18-13/h6H,3-5,7H2,1-2H3,(H,15,16,17)
InChIKeyXOJRIBLECUHBLT-UHFFFAOYSA-N
MW313.88 g/mol
LogP4.35
Rot. Bonds3

About 2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103322179) has the molecular formula C13H16ClN3S2 and a molecular weight of 313.88 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID103322179
Molecular FormulaC13H16ClN3S2
Molecular Weight313.88 g/mol
Exact Mass313.05
IUPAC Name2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCC3(C)CCCS3)nc(Cl)nc2s1
InChIInChI=1S/C13H16ClN3S2/c1-8-6-9-10(16-12(14)17-11(9)19-8)15-7-13(2)4-3-5-18-13/h6H,3-5,7H2,1-2H3,(H,15,16,17)
InChIKeyXOJRIBLECUHBLT-UHFFFAOYSA-N
XLogP4.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103321912
[1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 103322245
[1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol
CID 103321492
3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine
CID 80725115
2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321828
2-chloro-N-(2-chloroprop-2-enyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106195492
5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine
CID 103582588
2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103322101
2-chloro-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321900
2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322476
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 82066304
N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103321513

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 103322179) is 2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCC3(C)CCCS3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XOJRIBLECUHBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S2/c1-8-6-9-10(16-12(14)17-11(9)19-8)15-7-13(2)4-3-5-18-13/h6H,3-5,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 313.88 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103322179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).