N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide

C12H18N4O — CID 124641691

IUPACN-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1CCCN1c1ncccn1
InChIInChI=1S/C12H18N4O/c1-10(17)13-8-5-11-4-2-9-16(11)12-14-6-3-7-15-12/h3,6-7,11H,2,4-5,8-9H2,1H3,(H,13,17)/t11-/m0/s1
InChIKeyVMFMSKRIGWTQOK-NSHDSACASA-N
MW234.30 g/mol
LogP0.97
Rot. Bonds4

About N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide

N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide (PubChem CID 124641691) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide
PubChem CID124641691
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1CCCN1c1ncccn1
InChIInChI=1S/C12H18N4O/c1-10(17)13-8-5-11-4-2-9-16(11)12-14-6-3-7-15-12/h3,6-7,11H,2,4-5,8-9H2,1H3,(H,13,17)/t11-/m0/s1
InChIKeyVMFMSKRIGWTQOK-NSHDSACASA-N
XLogP0.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine
CID 110095085
N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide
CID 70744666
(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95302854
N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103861720
(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 51935919
N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 138041639
N-(2-acetamidoethyl)-4-oxo-4-(2-phenacylpyrrolidin-1-yl)butanamide
CID 136513745
tert-butyl N-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]carbamate
CID 133403597
N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70754305
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103801069
N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 115770837

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide (CID 124641691) is N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide is CC(=O)NCC[C@@H]1CCCN1c1ncccn1.
What is the InChIKey of N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide?
The InChIKey is VMFMSKRIGWTQOK-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N4O/c1-10(17)13-8-5-11-4-2-9-16(11)12-14-6-3-7-15-12/h3,6-7,11H,2,4-5,8-9H2,1H3,(H,13,17)/t11-/m0/s1.
What are the key properties of N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide?
N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 124641691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).