N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine

C12H16ClN3S — CID 82309488

IUPACN-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCC(C)Nc1nc(Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C12H16ClN3S/c1-5-6(2)14-12-15-10(13)9-7(3)8(4)17-11(9)16-12/h6H,5H2,1-4H3,(H,14,15,16)
InChIKeyMKNGOKYQDSUDKT-UHFFFAOYSA-N
MW269.80 g/mol
LogP4.17
Rot. Bonds3

About N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine

N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 82309488) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID82309488
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC NameN-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCC(C)Nc1nc(Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C12H16ClN3S/c1-5-6(2)14-12-15-10(13)9-7(3)8(4)17-11(9)16-12/h6H,5H2,1-4H3,(H,14,15,16)
InChIKeyMKNGOKYQDSUDKT-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine (CID 82309488) is N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine is CCC(C)Nc1nc(Cl)c2c(C)c(C)sc2n1.
What is the InChIKey of N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is MKNGOKYQDSUDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-5-6(2)14-12-15-10(13)9-7(3)8(4)17-11(9)16-12/h6H,5H2,1-4H3,(H,14,15,16).
What are the key properties of N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 269.80 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82309488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).