1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C12H18N4O — CID 175662611

IUPAC1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nc(C)ncc1CN
InChIInChI=1S/C12H18N4O/c1-8-14-7-10(6-13)12(15-8)11-4-3-5-16(11)9(2)17/h7,11H,3-6,13H2,1-2H3
InChIKeyLPPKTGZMWGYWMP-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.93
Rot. Bonds2

About 1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone

1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 175662611) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID175662611
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nc(C)ncc1CN
InChIInChI=1S/C12H18N4O/c1-8-14-7-10(6-13)12(15-8)11-4-3-5-16(11)9(2)17/h7,11H,3-6,13H2,1-2H3
InChIKeyLPPKTGZMWGYWMP-UHFFFAOYSA-N
XLogP0.93
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117382
N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 110119109
N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124985573
N-[2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 110116801
1-[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 125014018
[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124957607
[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110116761
N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 110095709
2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide
CID 110116753
1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110116795
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide
CID 124956996

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 175662611) is 1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1nc(C)ncc1CN.
What is the InChIKey of 1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is LPPKTGZMWGYWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-14-7-10(6-13)12(15-8)11-4-3-5-16(11)9(2)17/h7,11H,3-6,13H2,1-2H3.
What are the key properties of 1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 175662611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).