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

C13H19ClN4S — CID 103320479

IUPACN-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nc(Cl)nc2sccc12
InChIInChI=1S/C13H19ClN4S/c1-13(2,8-18(3)4)7-15-10-9-5-6-19-11(9)17-12(14)16-10/h5-6H,7-8H2,1-4H3,(H,15,16,17)
InChIKeyGHKAGKYIXKDOBB-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.34
Rot. Bonds5

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

N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 103320479) has the molecular formula C13H19ClN4S and a molecular weight of 298.84 g/mol. Its IUPAC name is N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID103320479
Molecular FormulaC13H19ClN4S
Molecular Weight298.84 g/mol
Exact Mass298.10
IUPAC NameN-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nc(Cl)nc2sccc12
InChIInChI=1S/C13H19ClN4S/c1-13(2,8-18(3)4)7-15-10-9-5-6-19-11(9)17-12(14)16-10/h5-6H,7-8H2,1-4H3,(H,15,16,17)
InChIKeyGHKAGKYIXKDOBB-UHFFFAOYSA-N
XLogP3.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 103335219
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106279572
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248457
2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322289
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
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
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
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (CID 103320479) is N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1nc(Cl)nc2sccc12.
What is the InChIKey of N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is GHKAGKYIXKDOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4S/c1-13(2,8-18(3)4)7-15-10-9-5-6-19-11(9)17-12(14)16-10/h5-6H,7-8H2,1-4H3,(H,15,16,17).
What are the key properties of N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 298.84 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 103320479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).