[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone

C21H26N4O2S2 — CID 42429170

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone
SMILESCC[C@@H](Nc1ncnc2sc(C(=O)N3CCC(CO)CC3)c(C)c12)c1cccs1
InChIInChI=1S/C21H26N4O2S2/c1-3-15(16-5-4-10-28-16)24-19-17-13(2)18(29-20(17)23-12-22-19)21(27)25-8-6-14(11-26)7-9-25/h4-5,10,12,14-15,26H,3,6-9,11H2,1-2H3,(H,22,23,24)/t15-/m1/s1
InChIKeyVMHDNXSAIMHYBY-OAHLLOKOSA-N
MW430.60 g/mol
LogP4.47
Rot. Bonds6

About [4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone

[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone (PubChem CID 42429170) has the molecular formula C21H26N4O2S2 and a molecular weight of 430.60 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone
PubChem CID42429170
Molecular FormulaC21H26N4O2S2
Molecular Weight430.60 g/mol
Exact Mass430.15
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone
SMILESCC[C@@H](Nc1ncnc2sc(C(=O)N3CCC(CO)CC3)c(C)c12)c1cccs1
InChIInChI=1S/C21H26N4O2S2/c1-3-15(16-5-4-10-28-16)24-19-17-13(2)18(29-20(17)23-12-22-19)21(27)25-8-6-14(11-26)7-9-25/h4-5,10,12,14-15,26H,3,6-9,11H2,1-2H3,(H,22,23,24)/t15-/m1/s1
InChIKeyVMHDNXSAIMHYBY-OAHLLOKOSA-N
XLogP4.47
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone with MolForge

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Related Compounds

[5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
CID 45246478
[5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 45236570
[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 26344574
[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 25292209
[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 42346611
N-(2-acetamidoethyl)-5-methyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26334572
3,4-dihydro-1H-isoquinolin-2-yl-[5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 26341898
[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone
CID 118756583
[(1S)-2-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 2536608
4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 110901055
azocan-1-yl-[4-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 26398498
phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 124738417

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone (CID 42429170) is [4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone is CC[C@@H](Nc1ncnc2sc(C(=O)N3CCC(CO)CC3)c(C)c12)c1cccs1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone?
The InChIKey is VMHDNXSAIMHYBY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N4O2S2/c1-3-15(16-5-4-10-28-16)24-19-17-13(2)18(29-20(17)23-12-22-19)21(27)25-8-6-14(11-26)7-9-25/h4-5,10,12,14-15,26H,3,6-9,11H2,1-2H3,(H,22,23,24)/t15-/m1/s1.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone?
[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone has a molecular weight of 430.60 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 42429170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).