2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine

C12H16ClN3S — CID 82066592

IUPAC2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(Cl)nc(NCC(C)C)c2c1C
InChIInChI=1S/C12H16ClN3S/c1-6(2)5-14-10-9-7(3)8(4)17-11(9)16-12(13)15-10/h6H,5H2,1-4H3,(H,14,15,16)
InChIKeyUXLDMSGEPBWCND-UHFFFAOYSA-N
MW269.80 g/mol
LogP4.03
Rot. Bonds3

About 2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 82066592) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID82066592
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(Cl)nc(NCC(C)C)c2c1C
InChIInChI=1S/C12H16ClN3S/c1-6(2)5-14-10-9-7(3)8(4)17-11(9)16-12(13)15-10/h6H,5H2,1-4H3,(H,14,15,16)
InChIKeyUXLDMSGEPBWCND-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 82066585
propan-2-yl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 82066346
5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 123514867
propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 82066547
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82066631
2-chloro-N-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 18460355
5,6-dimethyl-2-(2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485014
N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 113282648
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82066587
N-(3-chloro-2-methylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65037549
N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 116633151
[5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol
CID 62194832

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 82066592) is 2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(Cl)nc(NCC(C)C)c2c1C.
What is the InChIKey of 2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UXLDMSGEPBWCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-6(2)5-14-10-9-7(3)8(4)17-11(9)16-12(13)15-10/h6H,5H2,1-4H3,(H,14,15,16).
What are the key properties of 2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 269.80 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82066592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).