4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine

C13H17ClN4S — CID 82309156

IUPAC4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCCN1CCN(c2nc(Cl)c3cc(C)sc3n2)CC1
InChIInChI=1S/C13H17ClN4S/c1-3-17-4-6-18(7-5-17)13-15-11(14)10-8-9(2)19-12(10)16-13/h8H,3-7H2,1-2H3
InChIKeyQFHDFWIVEJKYOS-UHFFFAOYSA-N
MW296.83 g/mol
LogP2.80
Rot. Bonds2

About 4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine

4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 82309156) has the molecular formula C13H17ClN4S and a molecular weight of 296.83 g/mol. Its IUPAC name is 4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine
PubChem CID82309156
Molecular FormulaC13H17ClN4S
Molecular Weight296.83 g/mol
Exact Mass296.09
IUPAC Name4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCCN1CCN(c2nc(Cl)c3cc(C)sc3n2)CC1
InChIInChI=1S/C13H17ClN4S/c1-3-17-4-6-18(7-5-17)13-15-11(14)10-8-9(2)19-12(10)16-13/h8H,3-7H2,1-2H3
InChIKeyQFHDFWIVEJKYOS-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.83
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 82309158
4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 82309122
N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 82309246
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914456
4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 130547955
4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine
CID 166119810
ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 145380251
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
CID 63614537
4-(4-benzylpiperazin-1-yl)-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965217
2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 50946840
4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine
CID 63614533

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine (CID 82309156) is 4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine is CCN1CCN(c2nc(Cl)c3cc(C)sc3n2)CC1.
What is the InChIKey of 4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is QFHDFWIVEJKYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4S/c1-3-17-4-6-18(7-5-17)13-15-11(14)10-8-9(2)19-12(10)16-13/h8H,3-7H2,1-2H3.
What are the key properties of 4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 296.83 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 82309156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).