4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

C20H21N7OS — CID 148824844

IUPAC4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cc3cnn(-c4ccncn4)c3)nc3ccsc23)CC1
InChIInChI=1S/C20H21N7OS/c28-15-3-1-14(2-4-15)24-20-19-16(6-8-29-19)25-17(26-20)9-13-10-23-27(11-13)18-5-7-21-12-22-18/h5-8,10-12,14-15,28H,1-4,9H2,(H,24,25,26)
InChIKeyOSMWIXUHGDFLCT-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.97
Rot. Bonds5

About 4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 148824844) has the molecular formula C20H21N7OS and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID148824844
Molecular FormulaC20H21N7OS
Molecular Weight407.50 g/mol
Exact Mass407.15
IUPAC Name4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cc3cnn(-c4ccncn4)c3)nc3ccsc23)CC1
InChIInChI=1S/C20H21N7OS/c28-15-3-1-14(2-4-15)24-20-19-16(6-8-29-19)25-17(26-20)9-13-10-23-27(11-13)18-5-7-21-12-22-18/h5-8,10-12,14-15,28H,1-4,9H2,(H,24,25,26)
InChIKeyOSMWIXUHGDFLCT-UHFFFAOYSA-N
XLogP2.97
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol
CID 44444348
2-[2-(benzylamino)-4-pyridinyl]-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 89587268
[2-(2-Phenylamino-pyridin-4-yl)-thieno[3,2-d]pyrimidin-4-yl]-(R)-pyrrolidin-3-yl-amine
CID 89587354
1-Phenyl-3-{4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-urea
CID 89587405
(2R)-3-phenyl-1-N-[7-(1H-pyrazol-5-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]propane-1,2-diamine
CID 89596261
(2S)-1-N-[7-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596344
(2S)-3-phenyl-1-N-[7-(1H-pyrazol-4-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]propane-1,2-diamine
CID 89596350
(2S)-1-N-[7-(1-methylpyrazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596360
(2R)-1-[[4-[4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]propan-2-ol
CID 89596368
(1R)-1-phenyl-2-[[4-[4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol
CID 89596372
(2S)-4-[2-pyridin-4-yl-4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol
CID 89596377
2-(2-anilino-5-fluoro-4-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 89596379

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 148824844) is 4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Cc3cnn(-c4ccncn4)c3)nc3ccsc23)CC1.
What is the InChIKey of 4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is OSMWIXUHGDFLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7OS/c28-15-3-1-14(2-4-15)24-20-19-16(6-8-29-19)25-17(26-20)9-13-10-23-27(11-13)18-5-7-21-12-22-18/h5-8,10-12,14-15,28H,1-4,9H2,(H,24,25,26).
What are the key properties of 4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 407.50 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 148824844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).