2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine

C9H10ClN3S — CID 130535565

IUPAC2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCCN(C)c1nc(Cl)nc2ccsc12
InChIInChI=1S/C9H10ClN3S/c1-3-13(2)8-7-6(4-5-14-7)11-9(10)12-8/h4-5H,3H2,1-2H3
InChIKeySIOMLFUYHLZNSB-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.80
Rot. Bonds2

About 2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine

2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 130535565) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID130535565
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCCN(C)c1nc(Cl)nc2ccsc12
InChIInChI=1S/C9H10ClN3S/c1-3-13(2)8-7-6(4-5-14-7)11-9(10)12-8/h4-5H,3H2,1-2H3
InChIKeySIOMLFUYHLZNSB-UHFFFAOYSA-N
XLogP2.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine (CID 130535565) is 2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine is CCN(C)c1nc(Cl)nc2ccsc12.
What is the InChIKey of 2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is SIOMLFUYHLZNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c1-3-13(2)8-7-6(4-5-14-7)11-9(10)12-8/h4-5H,3H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 227.72 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 130535565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).