1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone

C11H16N4O2 — CID 66262023

IUPAC1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
SMILESCN(CC(=O)N1CC[C@@H](O)C1)c1ncccn1
InChIInChI=1S/C11H16N4O2/c1-14(11-12-4-2-5-13-11)8-10(17)15-6-3-9(16)7-15/h2,4-5,9,16H,3,6-8H2,1H3/t9-/m1/s1
InChIKeyKIHLPEOHXKHSOQ-SECBINFHSA-N
MW236.27 g/mol
LogP-0.49
Rot. Bonds3

About 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone (PubChem CID 66262023) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
PubChem CID66262023
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
SMILESCN(CC(=O)N1CC[C@@H](O)C1)c1ncccn1
InChIInChI=1S/C11H16N4O2/c1-14(11-12-4-2-5-13-11)8-10(17)15-6-3-9(16)7-15/h2,4-5,9,16H,3,6-8H2,1H3/t9-/m1/s1
InChIKeyKIHLPEOHXKHSOQ-SECBINFHSA-N
XLogP-0.49
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone
CID 102958607
2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 111560906
1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 79139214
2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114679848
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
CID 62467550
4-bromo-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 71857995
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438253
1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone
CID 166817040
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063520
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone?
The IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone (CID 66262023) is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone.
What is the SMILES notation for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone?
The canonical SMILES for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone is CN(CC(=O)N1CC[C@@H](O)C1)c1ncccn1.
What is the InChIKey of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone?
The InChIKey is KIHLPEOHXKHSOQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14(11-12-4-2-5-13-11)8-10(17)15-6-3-9(16)7-15/h2,4-5,9,16H,3,6-8H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone?
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone has a molecular weight of 236.27 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone is sourced from PubChem (CID 66262023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).