2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine

C12H16ClN3S — CID 103322597

IUPAC2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)CCNc1nc(Cl)nc2sccc12
InChIInChI=1S/C12H16ClN3S/c1-12(2,3)5-6-14-9-8-4-7-17-10(8)16-11(13)15-9/h4,7H,5-6H2,1-3H3,(H,14,15,16)
InChIKeyXOXGWLGLMGDXEW-UHFFFAOYSA-N
MW269.80 g/mol
LogP4.19
Rot. Bonds3

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

2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103322597) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103322597
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)CCNc1nc(Cl)nc2sccc12
InChIInChI=1S/C12H16ClN3S/c1-12(2,3)5-6-14-9-8-4-7-17-10(8)16-11(13)15-9/h4,7H,5-6H2,1-3H3,(H,14,15,16)
InChIKeyXOXGWLGLMGDXEW-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
2-chloro-N-(5-methylsulfanylpentyl)thieno[2,3-d]pyrimidin-4-amine
CID 114128756
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-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321517
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 103320479
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
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106279572
2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321473
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248457
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 114133090

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine (CID 103322597) is 2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine is CC(C)(C)CCNc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XOXGWLGLMGDXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-12(2,3)5-6-14-9-8-4-7-17-10(8)16-11(13)15-9/h4,7H,5-6H2,1-3H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 269.80 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103322597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).