5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine

C24H25N5S — CID 9195115

IUPAC5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCCCN1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C24H25N5S/c1-2-11-28-12-14-29(15-13-28)23-21-20(18-7-4-3-5-8-18)17-30-24(21)27-22(26-23)19-9-6-10-25-16-19/h3-10,16-17H,2,11-15H2,1H3
InChIKeyKUAZHMDKIVCGTP-UHFFFAOYSA-N
MW415.57 g/mol
LogP4.95
Rot. Bonds5

About 5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine

5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 9195115) has the molecular formula C24H25N5S and a molecular weight of 415.57 g/mol. Its IUPAC name is 5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID9195115
Molecular FormulaC24H25N5S
Molecular Weight415.57 g/mol
Exact Mass415.18
IUPAC Name5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCCCN1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C24H25N5S/c1-2-11-28-12-14-29(15-13-28)23-21-20(18-7-4-3-5-8-18)17-30-24(21)27-22(26-23)19-9-6-10-25-16-19/h3-10,16-17H,2,11-15H2,1H3
InChIKeyKUAZHMDKIVCGTP-UHFFFAOYSA-N
XLogP4.95
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.57
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2575882
4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9196216
1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4788941
2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine
CID 7874202
4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 167904296
2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 28848470
5-phenyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9280016
4-(4-methyl-1,4-diazepan-1-yl)-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 4841811
4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9311493
4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
CID 133317098
2-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9207878
N,N-dimethyl-1-[5-phenyl-4-(4-prop-2-ynylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methanamine
CID 133278924

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 9195115) is 5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine is CCCN1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is KUAZHMDKIVCGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5S/c1-2-11-28-12-14-29(15-13-28)23-21-20(18-7-4-3-5-8-18)17-30-24(21)27-22(26-23)19-9-6-10-25-16-19/h3-10,16-17H,2,11-15H2,1H3.
What are the key properties of 5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine has a molecular weight of 415.57 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 9195115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).