2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide

C13H21N5O2 — CID 98767103

IUPAC2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1cc(N2CCC[C@H]2CO)ncn1
InChIInChI=1S/C13H21N5O2/c1-14-13(20)7-17(2)11-6-12(16-9-15-11)18-5-3-4-10(18)8-19/h6,9-10,19H,3-5,7-8H2,1-2H3,(H,14,20)/t10-/m0/s1
InChIKeyDZASZLGAGFOESD-JTQLQIEISA-N
MW279.34 g/mol
LogP-0.38
Rot. Bonds5

About 2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide

2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide (PubChem CID 98767103) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide
PubChem CID98767103
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1cc(N2CCC[C@H]2CO)ncn1
InChIInChI=1S/C13H21N5O2/c1-14-13(20)7-17(2)11-6-12(16-9-15-11)18-5-3-4-10(18)8-19/h6,9-10,19H,3-5,7-8H2,1-2H3,(H,14,20)/t10-/m0/s1
InChIKeyDZASZLGAGFOESD-JTQLQIEISA-N
XLogP-0.38
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 115265310
2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]propanoic acid
CID 122048649
3-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]-2-methylpropanoic acid
CID 122064774
[1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 86933300
[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133432045
[(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 98767127
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
2-[1-[6-[methyl(propyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]ethanol
CID 115265322
[(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764108
4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 95763946
6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine
CID 115265366
(2S)-2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 122049394

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide (CID 98767103) is 2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1cc(N2CCC[C@H]2CO)ncn1.
What is the InChIKey of 2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
The InChIKey is DZASZLGAGFOESD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N5O2/c1-14-13(20)7-17(2)11-6-12(16-9-15-11)18-5-3-4-10(18)8-19/h6,9-10,19H,3-5,7-8H2,1-2H3,(H,14,20)/t10-/m0/s1.
What are the key properties of 2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide has a molecular weight of 279.34 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 98767103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).