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

C12H16ClN3S — CID 103322599

IUPAC2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCC(CC)CNc1nc(Cl)nc2sccc12
InChIInChI=1S/C12H16ClN3S/c1-3-8(4-2)7-14-10-9-5-6-17-11(9)16-12(13)15-10/h5-6,8H,3-4,7H2,1-2H3,(H,14,15,16)
InChIKeyALHSVVCQZVQMMZ-UHFFFAOYSA-N
MW269.80 g/mol
LogP4.19
Rot. Bonds5

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

2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103322599) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103322599
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCC(CC)CNc1nc(Cl)nc2sccc12
InChIInChI=1S/C12H16ClN3S/c1-3-8(4-2)7-14-10-9-5-6-17-11(9)16-12(13)15-10/h5-6,8H,3-4,7H2,1-2H3,(H,14,15,16)
InChIKeyALHSVVCQZVQMMZ-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145573
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
2-chloro-N-pent-1-yn-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 106232721
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide
CID 103320684
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114109137
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103320619
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 103320479
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
2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine (CID 103322599) is 2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine is CCC(CC)CNc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ALHSVVCQZVQMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-3-8(4-2)7-14-10-9-5-6-17-11(9)16-12(13)15-10/h5-6,8H,3-4,7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 269.80 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103322599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).