N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide

C19H24N4O2 — CID 136607690

IUPACN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)CN2CCC(c3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O2/c1-14-11-18(24)22-17(21-14)7-9-20-19(25)13-23-10-8-16(12-23)15-5-3-2-4-6-15/h2-6,11,16H,7-10,12-13H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyRUIVVSKKPSNLOM-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.23
Rot. Bonds6

About N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide

N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide (PubChem CID 136607690) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide
PubChem CID136607690
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)CN2CCC(c3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O2/c1-14-11-18(24)22-17(21-14)7-9-20-19(25)13-23-10-8-16(12-23)15-5-3-2-4-6-15/h2-6,11,16H,7-10,12-13H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyRUIVVSKKPSNLOM-UHFFFAOYSA-N
XLogP1.23
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 136703686
N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 136861452
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95333668
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 124679998
(1S,3S,8R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 136930406
N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674
N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881
(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide
CID 137065733
2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide
CID 78983867
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide (CID 136607690) is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide is Cc1cc(=O)[nH]c(CCNC(=O)CN2CCC(c3ccccc3)C2)n1.
What is the InChIKey of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide?
The InChIKey is RUIVVSKKPSNLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-11-18(24)22-17(21-14)7-9-20-19(25)13-23-10-8-16(12-23)15-5-3-2-4-6-15/h2-6,11,16H,7-10,12-13H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide?
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 136607690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).