2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C11H15ClN4S — CID 103322289

IUPAC2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C11H15ClN4S/c1-7(6-16(2)3)13-9-8-4-5-17-10(8)15-11(12)14-9/h4-5,7H,6H2,1-3H3,(H,13,14,15)
InChIKeyKRUPWQWQXQMQPL-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.71
Rot. Bonds4

About 2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103322289) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is 2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103322289
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC Name2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C11H15ClN4S/c1-7(6-16(2)3)13-9-8-4-5-17-10(8)15-11(12)14-9/h4-5,7H,6H2,1-3H3,(H,13,14,15)
InChIKeyKRUPWQWQXQMQPL-UHFFFAOYSA-N
XLogP2.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103320619
4-N-[1-(dimethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329471
2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322551
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 103322519
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 103320479
2-chloro-N-pent-1-yn-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 106232721
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326180
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
4-N-[1-(diethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326985
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 103321319
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 103322289) is 2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)Nc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is KRUPWQWQXQMQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4S/c1-7(6-16(2)3)13-9-8-4-5-17-10(8)15-11(12)14-9/h4-5,7H,6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 270.79 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103322289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).