2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C10H12ClN3S — CID 40973732

IUPAC2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc([C@H](C)Cl)nc(N)c2c1C
InChIInChI=1S/C10H12ClN3S/c1-4-6(3)15-10-7(4)8(12)13-9(14-10)5(2)11/h5H,1-3H3,(H2,12,13,14)/t5-/m0/s1
InChIKeySTFXLAYTLXETOD-YFKPBYRVSA-N
MW241.75 g/mol
LogP3.19
Rot. Bonds1

About 2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 40973732) has the molecular formula C10H12ClN3S and a molecular weight of 241.75 g/mol. Its IUPAC name is 2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID40973732
Molecular FormulaC10H12ClN3S
Molecular Weight241.75 g/mol
Exact Mass241.04
IUPAC Name2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc([C@H](C)Cl)nc(N)c2c1C
InChIInChI=1S/C10H12ClN3S/c1-4-6(3)15-10-7(4)8(12)13-9(14-10)5(2)11/h5H,1-3H3,(H2,12,13,14)/t5-/m0/s1
InChIKeySTFXLAYTLXETOD-YFKPBYRVSA-N
XLogP3.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 61026333
2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9115252
1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone
CID 31520092
5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
CID 169049669
5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62182672
5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 56521464
5,6-dimethyl-2-(2-methylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine
CID 65419572
2-[[5-[1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 56520695
2-[1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 55483898
2-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025320
2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 71899775
5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 17420204

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 40973732) is 2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc([C@H](C)Cl)nc(N)c2c1C.
What is the InChIKey of 2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is STFXLAYTLXETOD-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H12ClN3S/c1-4-6(3)15-10-7(4)8(12)13-9(14-10)5(2)11/h5H,1-3H3,(H2,12,13,14)/t5-/m0/s1.
What are the key properties of 2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 241.75 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 40973732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).