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

C12H14ClN3OS — CID 103320724

IUPAC2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCN(c1nc(Cl)nc2sccc12)C1CCOCC1
InChIInChI=1S/C12H14ClN3OS/c1-16(8-2-5-17-6-3-8)10-9-4-7-18-11(9)15-12(13)14-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyLSWKWDZKXYJSMJ-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.96
Rot. Bonds2

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

2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320724) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320724
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCN(c1nc(Cl)nc2sccc12)C1CCOCC1
InChIInChI=1S/C12H14ClN3OS/c1-16(8-2-5-17-6-3-8)10-9-4-7-18-11(9)15-12(13)14-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyLSWKWDZKXYJSMJ-UHFFFAOYSA-N
XLogP2.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325226
2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325225
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322269
N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103335783
2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321385
3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine
CID 115000778
N-(4,4-dimethylcyclohexyl)-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334638
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321205
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 103322064
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol
CID 103322493
2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103320555
N-(4-ethylcyclohexyl)-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332677

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine (CID 103320724) is 2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine is CN(c1nc(Cl)nc2sccc12)C1CCOCC1.
What is the InChIKey of 2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LSWKWDZKXYJSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-16(8-2-5-17-6-3-8)10-9-4-7-18-11(9)15-12(13)14-10/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.78 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).