N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C12H16ClN3S — CID 63392466

IUPACN-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)CC(C)Cl)c2c1C
InChIInChI=1S/C12H16ClN3S/c1-7(13)5-16(4)11-10-8(2)9(3)17-12(10)15-6-14-11/h6-7H,5H2,1-4H3
InChIKeyBAEVBNFURCSIRD-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.37
Rot. Bonds3

About N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63392466) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63392466
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC NameN-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)CC(C)Cl)c2c1C
InChIInChI=1S/C12H16ClN3S/c1-7(13)5-16(4)11-10-8(2)9(3)17-12(10)15-6-14-11/h6-7H,5H2,1-4H3
InChIKeyBAEVBNFURCSIRD-UHFFFAOYSA-N
XLogP3.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 63392466) is N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(N(C)CC(C)Cl)c2c1C.
What is the InChIKey of N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BAEVBNFURCSIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-7(13)5-16(4)11-10-8(2)9(3)17-12(10)15-6-14-11/h6-7H,5H2,1-4H3.
What are the key properties of N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 269.80 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63392466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).