[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol

C19H23N5O2S — CID 166978521

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol
SMILESC[C@H](Nc1nc(C(O)N2CCCC2CO)c2sccc2n1)c1cccnc1
InChIInChI=1S/C19H23N5O2S/c1-12(13-4-2-7-20-10-13)21-19-22-15-6-9-27-17(15)16(23-19)18(26)24-8-3-5-14(24)11-25/h2,4,6-7,9-10,12,14,18,25-26H,3,5,8,11H2,1H3,(H,21,22,23)/t12-,14?,18?/m0/s1
InChIKeyPMZOOEIVZWQEIY-DTVQEZCTSA-N
MW385.49 g/mol
LogP2.71
Rot. Bonds6

About [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol

[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol (PubChem CID 166978521) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol
PubChem CID166978521
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol
SMILESC[C@H](Nc1nc(C(O)N2CCCC2CO)c2sccc2n1)c1cccnc1
InChIInChI=1S/C19H23N5O2S/c1-12(13-4-2-7-20-10-13)21-19-22-15-6-9-27-17(15)16(23-19)18(26)24-8-3-5-14(24)11-25/h2,4,6-7,9-10,12,14,18,25-26H,3,5,8,11H2,1H3,(H,21,22,23)/t12-,14?,18?/m0/s1
InChIKeyPMZOOEIVZWQEIY-DTVQEZCTSA-N
XLogP2.71
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25230181
(3-methylsulfonylpyrrolidin-1-yl)-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 166978540
[1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 112750454
1-[3-[[[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-hydroxymethyl]amino]azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 166978561
azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane
CID 142540212
ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540083
(4S)-4-hydroxy-1-[2-[[(1R)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]pentan-1-one
CID 163695403
1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide
CID 92899231
ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 142540416
[(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol
CID 129448824
[2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane
CID 163470828
N-[(1R)-1-pyridin-3-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81405087

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol (CID 166978521) is [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol is C[C@H](Nc1nc(C(O)N2CCCC2CO)c2sccc2n1)c1cccnc1.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol?
The InChIKey is PMZOOEIVZWQEIY-DTVQEZCTSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-12(13-4-2-7-20-10-13)21-19-22-15-6-9-27-17(15)16(23-19)18(26)24-8-3-5-14(24)11-25/h2,4,6-7,9-10,12,14,18,25-26H,3,5,8,11H2,1H3,(H,21,22,23)/t12-,14?,18?/m0/s1.
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol?
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol has a molecular weight of 385.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanol is sourced from PubChem (CID 166978521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).