N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide

C13H21N5O2 — CID 110123986

IUPACN-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)CC1(O)CCN(c2ncccn2)C1
InChIInChI=1S/C13H21N5O2/c1-14-8-11(19)17(2)9-13(20)4-7-18(10-13)12-15-5-3-6-16-12/h3,5-6,14,20H,4,7-10H2,1-2H3
InChIKeyUZNXVTRCUQAYHR-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.90
Rot. Bonds5

About N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide

N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide (PubChem CID 110123986) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide
PubChem CID110123986
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)CC1(O)CCN(c2ncccn2)C1
InChIInChI=1S/C13H21N5O2/c1-14-8-11(19)17(2)9-13(20)4-7-18(10-13)12-15-5-3-6-16-12/h3,5-6,14,20H,4,7-10H2,1-2H3
InChIKeyUZNXVTRCUQAYHR-UHFFFAOYSA-N
XLogP-0.90
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 ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-phenoxypropanamide
CID 110123966
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123853
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(methylamino)acetamide
CID 124993029
3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide
CID 124961173
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 124943331
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 124966338
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110123894
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
CID 124980570
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-morpholin-4-ylacetamide
CID 110123611
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 124991397
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,2-dimethyl-1,3-oxazole-4-carboxamide
CID 124944697
2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide
CID 124987350

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide (CID 110123986) is N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)CC1(O)CCN(c2ncccn2)C1.
What is the InChIKey of N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide?
The InChIKey is UZNXVTRCUQAYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-14-8-11(19)17(2)9-13(20)4-7-18(10-13)12-15-5-3-6-16-12/h3,5-6,14,20H,4,7-10H2,1-2H3.
What are the key properties of N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide?
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide has a molecular weight of 279.34 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 110123986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).