[(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C15H20N4OS — CID 95763839

IUPAC[(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESC[C@@H](Nc1cc(N2CCC[C@@H]2CO)ncn1)c1cccs1
InChIInChI=1S/C15H20N4OS/c1-11(13-5-3-7-21-13)18-14-8-15(17-10-16-14)19-6-2-4-12(19)9-20/h3,5,7-8,10-12,20H,2,4,6,9H2,1H3,(H,16,17,18)/t11-,12-/m1/s1
InChIKeyADFUZOJSNXAERI-VXGBXAGGSA-N
MW304.42 g/mol
LogP2.67
Rot. Bonds5

About [(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 95763839) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID95763839
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESC[C@@H](Nc1cc(N2CCC[C@@H]2CO)ncn1)c1cccs1
InChIInChI=1S/C15H20N4OS/c1-11(13-5-3-7-21-13)18-14-8-15(17-10-16-14)19-6-2-4-12(19)9-20/h3,5,7-8,10-12,20H,2,4,6,9H2,1H3,(H,16,17,18)/t11-,12-/m1/s1
InChIKeyADFUZOJSNXAERI-VXGBXAGGSA-N
XLogP2.67
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 98767134
[1-[6-[1-(3-chloro-4-fluorophenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133298672
(2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol
CID 133434749
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
(2S)-2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 122049394
[(2R)-1-[6-[[(1S,2R)-2-methylcyclopropyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764095
[(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763960
[(2S)-1-[6-[(5-methylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763977
[(2R)-1-[6-[(2-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763906
2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol
CID 133375898
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol
CID 133495720

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 95763839) is [(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is C[C@@H](Nc1cc(N2CCC[C@@H]2CO)ncn1)c1cccs1.
What is the InChIKey of [(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is ADFUZOJSNXAERI-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11(13-5-3-7-21-13)18-14-8-15(17-10-16-14)19-6-2-4-12(19)9-20/h3,5,7-8,10-12,20H,2,4,6,9H2,1H3,(H,16,17,18)/t11-,12-/m1/s1.
What are the key properties of [(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 304.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95763839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).