6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione

C19H19ClN4O3S — CID 42589979

IUPAC6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)sc2n(C)c1=O
InChIInChI=1S/C19H19ClN4O3S/c1-21-16(25)14-11-15(28-18(14)22(2)19(21)27)17(26)24-8-6-23(7-9-24)13-5-3-4-12(20)10-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyZWFDNODIFALRNO-UHFFFAOYSA-N
MW418.91 g/mol
LogP1.91
Rot. Bonds2

About 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione

6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 42589979) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID42589979
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)sc2n(C)c1=O
InChIInChI=1S/C19H19ClN4O3S/c1-21-16(25)14-11-15(28-18(14)22(2)19(21)27)17(26)24-8-6-23(7-9-24)13-5-3-4-12(20)10-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyZWFDNODIFALRNO-UHFFFAOYSA-N
XLogP1.91
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 53083079
7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one
CID 20857381
[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 9146285
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110692830
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2683196
[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112790787
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 44616069
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2437213
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 26721708

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione (CID 42589979) is 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)sc2n(C)c1=O.
What is the InChIKey of 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZWFDNODIFALRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-21-16(25)14-11-15(28-18(14)22(2)19(21)27)17(26)24-8-6-23(7-9-24)13-5-3-4-12(20)10-13/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 418.91 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 42589979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).