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

C15H21ClN4S — CID 82309158

IUPAC4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
SMILESCCCc1cc2c(Cl)nc(N3CCN(CC)CC3)nc2s1
InChIInChI=1S/C15H21ClN4S/c1-3-5-11-10-12-13(16)17-15(18-14(12)21-11)20-8-6-19(4-2)7-9-20/h10H,3-9H2,1-2H3
InChIKeyPEMVTEOKWGTROA-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.44
Rot. Bonds4

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

4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine (PubChem CID 82309158) has the molecular formula C15H21ClN4S and a molecular weight of 324.88 g/mol. Its IUPAC name is 4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
PubChem CID82309158
Molecular FormulaC15H21ClN4S
Molecular Weight324.88 g/mol
Exact Mass324.12
IUPAC Name4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
SMILESCCCc1cc2c(Cl)nc(N3CCN(CC)CC3)nc2s1
InChIInChI=1S/C15H21ClN4S/c1-3-5-11-10-12-13(16)17-15(18-14(12)21-11)20-8-6-19(4-2)7-9-20/h10H,3-9H2,1-2H3
InChIKeyPEMVTEOKWGTROA-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 82309156
2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine
CID 70537326
4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde
CID 88740644
4-chloro-N,N-dimethyl-6-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309241
2-[4-(cyclopentylmethyl)piperazin-1-yl]-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
CID 58334237
2-(4-ethylpiperazin-1-yl)-4-methyl-5-propylpyrimidine
CID 143595254
4-[2-(4-methylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidin-4-yl]-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 143953420
N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914456
2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine
CID 95506871
2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine
CID 24885305
4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 82309122
ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 145380251

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine (CID 82309158) is 4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine is CCCc1cc2c(Cl)nc(N3CCN(CC)CC3)nc2s1.
What is the InChIKey of 4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine?
The InChIKey is PEMVTEOKWGTROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4S/c1-3-5-11-10-12-13(16)17-15(18-14(12)21-11)20-8-6-19(4-2)7-9-20/h10H,3-9H2,1-2H3.
What are the key properties of 4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine?
4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine has a molecular weight of 324.88 g/mol, XLogP of 3.44, 4 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-propylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 82309158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).