1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol

C20H24N4OS — CID 133498170

IUPAC1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(c2ncnc3sc(-c4ccccc4)cc23)C(C)C1
InChIInChI=1S/C20H24N4OS/c1-14-11-23(12-15(2)25)8-9-24(14)19-17-10-18(16-6-4-3-5-7-16)26-20(17)22-13-21-19/h3-7,10,13-15,25H,8-9,11-12H2,1-2H3
InChIKeyWHSLOSBFSLWGDS-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.25
Rot. Bonds4

About 1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol

1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 133498170) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID133498170
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(c2ncnc3sc(-c4ccccc4)cc23)C(C)C1
InChIInChI=1S/C20H24N4OS/c1-14-11-23(12-15(2)25)8-9-24(14)19-17-10-18(16-6-4-3-5-7-16)26-20(17)22-13-21-19/h3-7,10,13-15,25H,8-9,11-12H2,1-2H3
InChIKeyWHSLOSBFSLWGDS-UHFFFAOYSA-N
XLogP3.25
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 28846771
4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine
CID 7997116
(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
4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine
CID 2816831
1-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]propan-2-ol
CID 171999652
5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 124625066
3-methyl-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052335
[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286404

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol (CID 133498170) is 1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol is CC(O)CN1CCN(c2ncnc3sc(-c4ccccc4)cc23)C(C)C1.
What is the InChIKey of 1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is WHSLOSBFSLWGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-14-11-23(12-15(2)25)8-9-24(14)19-17-10-18(16-6-4-3-5-7-16)26-20(17)22-13-21-19/h3-7,10,13-15,25H,8-9,11-12H2,1-2H3.
What are the key properties of 1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 368.51 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133498170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).