[(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol

C19H21N3OS — CID 9311243

IUPAC[(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCc1nc(N2CCC[C@H](CO)C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H21N3OS/c1-13-20-18(22-9-5-6-14(10-22)11-23)17-16(12-24-19(17)21-13)15-7-3-2-4-8-15/h2-4,7-8,12,14,23H,5-6,9-11H2,1H3/t14-/m0/s1
InChIKeyNHDMSOYWALJWOG-AWEZNQCLSA-N
MW339.46 g/mol
LogP3.88
Rot. Bonds3

About [(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol

[(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 9311243) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is [(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID9311243
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name[(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCc1nc(N2CCC[C@H](CO)C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H21N3OS/c1-13-20-18(22-9-5-6-14(10-22)11-23)17-16(12-24-19(17)21-13)15-7-3-2-4-8-15/h2-4,7-8,12,14,23H,5-6,9-11H2,1H3/t14-/m0/s1
InChIKeyNHDMSOYWALJWOG-AWEZNQCLSA-N
XLogP3.88
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 94381226
2-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9207878
2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine
CID 7874202
(3S)-3-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 40798532
2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 18287796
2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol
CID 133315214
4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 9113727
[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 55230644
2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133492865
(3R,4S)-1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
CID 100603327
(3R,4R)-1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
CID 100603337
methyl 4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 26472142

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol (CID 9311243) is [(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol is Cc1nc(N2CCC[C@H](CO)C2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of [(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is NHDMSOYWALJWOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-20-18(22-9-5-6-14(10-22)11-23)17-16(12-24-19(17)21-13)15-7-3-2-4-8-15/h2-4,7-8,12,14,23H,5-6,9-11H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
[(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 339.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 9311243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).