[(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C17H24N4O2 — CID 98767134

IUPAC[(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1cc([C@@H](C)Nc2cc(N3CCC[C@H]3CO)ncn2)c(C)o1
InChIInChI=1S/C17H24N4O2/c1-11-7-15(13(3)23-11)12(2)20-16-8-17(19-10-18-16)21-6-4-5-14(21)9-22/h7-8,10,12,14,22H,4-6,9H2,1-3H3,(H,18,19,20)/t12-,14+/m1/s1
InChIKeyGFCGXPVYUOCMOS-OCCSQVGLSA-N
MW316.41 g/mol
LogP2.82
Rot. Bonds5

About [(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 98767134) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is [(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID98767134
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name[(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1cc([C@@H](C)Nc2cc(N3CCC[C@H]3CO)ncn2)c(C)o1
InChIInChI=1S/C17H24N4O2/c1-11-7-15(13(3)23-11)12(2)20-16-8-17(19-10-18-16)21-6-4-5-14(21)9-22/h7-8,10,12,14,22H,4-6,9H2,1-3H3,(H,18,19,20)/t12-,14+/m1/s1
InChIKeyGFCGXPVYUOCMOS-OCCSQVGLSA-N
XLogP2.82
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

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[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
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(2S)-2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 122049394
[1-[6-[1-(3-chloro-4-fluorophenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133298672
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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
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 95763811
[(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95758167
[1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 98767134) is [(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is Cc1cc([C@@H](C)Nc2cc(N3CCC[C@H]3CO)ncn2)c(C)o1.
What is the InChIKey of [(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is GFCGXPVYUOCMOS-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-7-15(13(3)23-11)12(2)20-16-8-17(19-10-18-16)21-6-4-5-14(21)9-22/h7-8,10,12,14,22H,4-6,9H2,1-3H3,(H,18,19,20)/t12-,14+/m1/s1.
What are the key properties of [(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 316.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 98767134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).