4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine

C23H23N4S+ — CID 7997116

IUPAC4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine
SMILESC[NH+]1CCN(c2ncnc3sc(-c4ccccc4)cc23)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H22N4S/c1-26-12-13-27(20(15-26)17-8-4-2-5-9-17)22-19-14-21(18-10-6-3-7-11-18)28-23(19)25-16-24-22/h2-11,14,16,20H,12-13,15H2,1H3/p+1/t20-/m0/s1
InChIKeyULJRGQYLDMOZIX-FQEVSTJZSA-O
MW387.53 g/mol
LogP3.43
Rot. Bonds3

About 4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine

4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 7997116) has the molecular formula C23H23N4S+ and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine
PubChem CID7997116
Molecular FormulaC23H23N4S+
Molecular Weight387.53 g/mol
Exact Mass387.16
IUPAC Name4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine
SMILESC[NH+]1CCN(c2ncnc3sc(-c4ccccc4)cc23)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H22N4S/c1-26-12-13-27(20(15-26)17-8-4-2-5-9-17)22-19-14-21(18-10-6-3-7-11-18)28-23(19)25-16-24-22/h2-11,14,16,20H,12-13,15H2,1H3/p+1/t20-/m0/s1
InChIKeyULJRGQYLDMOZIX-FQEVSTJZSA-O
XLogP3.43
TPSA33.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 28846771
2,5-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 154860690
2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 3937786
4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine
CID 2816831
1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 133498170
4-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 58810662
(2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine
CID 51957175
(2S,6S)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine
CID 51957174
(2S,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine
CID 51957173
[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286404
3-methyl-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052335
(3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine
CID 124739953

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine (CID 7997116) is 4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine is C[NH+]1CCN(c2ncnc3sc(-c4ccccc4)cc23)[C@H](c2ccccc2)C1.
What is the InChIKey of 4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is ULJRGQYLDMOZIX-FQEVSTJZSA-O. The full InChI is InChI=1S/C23H22N4S/c1-26-12-13-27(20(15-26)17-8-4-2-5-9-17)22-19-14-21(18-10-6-3-7-11-18)28-23(19)25-16-24-22/h2-11,14,16,20H,12-13,15H2,1H3/p+1/t20-/m0/s1.
What are the key properties of 4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine?
4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 387.53 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 7997116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).