1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone

C12H18N4O2 — CID 61411371

IUPAC1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
SMILESCN(CC(=O)N1CCCC1CO)c1ncccn1
InChIInChI=1S/C12H18N4O2/c1-15(12-13-5-3-6-14-12)8-11(18)16-7-2-4-10(16)9-17/h3,5-6,10,17H,2,4,7-9H2,1H3
InChIKeyJPVXCAUJIAEFDQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.10
Rot. Bonds4

About 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone (PubChem CID 61411371) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
PubChem CID61411371
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
SMILESCN(CC(=O)N1CCCC1CO)c1ncccn1
InChIInChI=1S/C12H18N4O2/c1-15(12-13-5-3-6-14-12)8-11(18)16-7-2-4-10(16)9-17/h3,5-6,10,17H,2,4,7-9H2,1H3
InChIKeyJPVXCAUJIAEFDQ-UHFFFAOYSA-N
XLogP-0.10
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
CID 62467550
2-[4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]thiomorpholin-3-yl]acetic acid
CID 66443310
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 61410629
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
CID 66262023
N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61410795
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 66260767
2-(hydroxymethyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111428254
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 79028625
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone
CID 115348314
1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 79030214
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone (CID 61411371) is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone is CN(CC(=O)N1CCCC1CO)c1ncccn1.
What is the InChIKey of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone?
The InChIKey is JPVXCAUJIAEFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15(12-13-5-3-6-14-12)8-11(18)16-7-2-4-10(16)9-17/h3,5-6,10,17H,2,4,7-9H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone?
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone has a molecular weight of 250.30 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone is sourced from PubChem (CID 61411371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).