4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine

C7H6ClN3S — CID 138109309

IUPAC4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine
SMILESCc1csc2c(Cl)nc(N)nc12
InChIInChI=1S/C7H6ClN3S/c1-3-2-12-5-4(3)10-7(9)11-6(5)8/h2H,1H3,(H2,9,10,11)
InChIKeyFWWFDHSNTIWYKG-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.24
Rot. Bonds

About 4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine

4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine (PubChem CID 138109309) has the molecular formula C7H6ClN3S and a molecular weight of 199.67 g/mol. Its IUPAC name is 4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine
PubChem CID138109309
Molecular FormulaC7H6ClN3S
Molecular Weight199.67 g/mol
Exact Mass199.00
IUPAC Name4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine
SMILESCc1csc2c(Cl)nc(N)nc12
InChIInChI=1S/C7H6ClN3S/c1-3-2-12-5-4(3)10-7(9)11-6(5)8/h2H,1H3,(H2,9,10,11)
InChIKeyFWWFDHSNTIWYKG-UHFFFAOYSA-N
XLogP2.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine (CID 138109309) is 4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine is Cc1csc2c(Cl)nc(N)nc12.
What is the InChIKey of 4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine?
The InChIKey is FWWFDHSNTIWYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S/c1-3-2-12-5-4(3)10-7(9)11-6(5)8/h2H,1H3,(H2,9,10,11).
What are the key properties of 4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine?
4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine has a molecular weight of 199.67 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 138109309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).