4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine

C7H6ClN3S — CID 130116103

IUPAC4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1csc2nc(N)nc(Cl)c12
InChIInChI=1S/C7H6ClN3S/c1-3-2-12-6-4(3)5(8)10-7(9)11-6/h2H,1H3,(H2,9,10,11)
InChIKeyHNVJGWZINILYOZ-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.24
Rot. Bonds

About 4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine

4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 130116103) has the molecular formula C7H6ClN3S and a molecular weight of 199.67 g/mol. Its IUPAC name is 4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID130116103
Molecular FormulaC7H6ClN3S
Molecular Weight199.67 g/mol
Exact Mass199.00
IUPAC Name4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1csc2nc(N)nc(Cl)c12
InChIInChI=1S/C7H6ClN3S/c1-3-2-12-6-4(3)5(8)10-7(9)11-6/h2H,1H3,(H2,9,10,11)
InChIKeyHNVJGWZINILYOZ-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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Related Compounds

4-Chloro-5-methylthieno[2,3-d]pyrimidine
CID 290225
4-Chlorothieno[2,3-d]pyrimidine
CID 736618
4-Chloro-2-(trifluoromethyl)thieno[2,3-d]pyrimidine
CID 89089837
5-Methylthieno[2,3-d]pyrimidin-4-amine
CID 264289
4-Chloro-2-methylthieno[2,3-d]pyrimidine
CID 818255
2,4-Dichlorothieno[2,3-d]pyrimidine
CID 12217324
4-Chloro-2-ethylthieno(2,3-d)pyrimidine
CID 12225260
2-Chlorothieno[2,3-d]pyrimidin-4-amine
CID 12225289
2,4-Dichloro-5-methylthieno(2,3-d)pyrimidine
CID 12225299
5-Bromo-4-chlorothieno[2,3-d]pyrimidine
CID 45480299
2-Chloro-5-methylthieno(2,3-d)pyrimidine
CID 45789640
4-Chloro-2,5-dimethylthieno[2,3-d]pyrimidine
CID 53443687

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine (CID 130116103) is 4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine is Cc1csc2nc(N)nc(Cl)c12.
What is the InChIKey of 4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is HNVJGWZINILYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S/c1-3-2-12-6-4(3)5(8)10-7(9)11-6/h2H,1H3,(H2,9,10,11).
What are the key properties of 4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine?
4-chloro-5-methylthieno[2,3-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-5-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 130116103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).