2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine

C20H25N4S+ — CID 7874202

IUPAC2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine
SMILESCCC[NH+]1CCN(c2nc(C)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C20H24N4S/c1-3-9-23-10-12-24(13-11-23)19-18-17(16-7-5-4-6-8-16)14-25-20(18)22-15(2)21-19/h4-8,14H,3,9-13H2,1-2H3/p+1
InChIKeyZMASGETZGHRCLS-UHFFFAOYSA-O
MW353.51 g/mol
LogP2.78
Rot. Bonds4

About 2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine

2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 7874202) has the molecular formula C20H25N4S+ and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine
PubChem CID7874202
Molecular FormulaC20H25N4S+
Molecular Weight353.51 g/mol
Exact Mass353.18
IUPAC Name2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine
SMILESCCC[NH+]1CCN(c2nc(C)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C20H24N4S/c1-3-9-23-10-12-24(13-11-23)19-18-17(16-7-5-4-6-8-16)14-25-20(18)22-15(2)21-19/h4-8,14H,3,9-13H2,1-2H3/p+1
InChIKeyZMASGETZGHRCLS-UHFFFAOYSA-O
XLogP2.78
TPSA33.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 9311243
2-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9207878
4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 9113727
4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9196216
(3S)-3-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 40798532
2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 28848470
2-methyl-4-(4-propylpiperazin-4-ium-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 4277746
5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 9195115
4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 4161037
4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9311493
2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848884
N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine
CID 133278686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine (CID 7874202) is 2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine is CCC[NH+]1CCN(c2nc(C)nc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is ZMASGETZGHRCLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N4S/c1-3-9-23-10-12-24(13-11-23)19-18-17(16-7-5-4-6-8-16)14-25-20(18)22-15(2)21-19/h4-8,14H,3,9-13H2,1-2H3/p+1.
What are the key properties of 2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine?
2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 353.51 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 7874202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).