2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide

C22H30N6O4 — CID 90841217

IUPAC2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide
SMILESCc1ncc(CC(=O)NCCCCCc2ncc(CC(=O)N3CCCC3)c(=O)[nH]2)c(=O)[nH]1
InChIInChI=1S/C22H30N6O4/c1-15-24-13-16(21(31)26-15)11-19(29)23-8-4-2-3-7-18-25-14-17(22(32)27-18)12-20(30)28-9-5-6-10-28/h13-14H,2-12H2,1H3,(H,23,29)(H,24,26,31)(H,25,27,32)
InChIKeyJJVFIJNYKZRTLF-UHFFFAOYSA-N
MW442.52 g/mol
LogP0.40
Rot. Bonds10

About 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide

2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide (PubChem CID 90841217) has the molecular formula C22H30N6O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide
PubChem CID90841217
Molecular FormulaC22H30N6O4
Molecular Weight442.52 g/mol
Exact Mass442.23
IUPAC Name2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide
SMILESCc1ncc(CC(=O)NCCCCCc2ncc(CC(=O)N3CCCC3)c(=O)[nH]2)c(=O)[nH]1
InChIInChI=1S/C22H30N6O4/c1-15-24-13-16(21(31)26-15)11-19(29)23-8-4-2-3-7-18-25-14-17(22(32)27-18)12-20(30)28-9-5-6-10-28/h13-14H,2-12H2,1H3,(H,23,29)(H,24,26,31)(H,25,27,32)
InChIKeyJJVFIJNYKZRTLF-UHFFFAOYSA-N
XLogP0.40
TPSA140.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70711114
5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 90925807
ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940516
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 143940523
2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940576
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940630
2-(2-butyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide
CID 169664171
(4S)-4-amino-N,N-diethyl-1-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-L-prolinamide
CID 56722262
(4R)-4-amino-N,N-diethyl-1-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-L-prolinamide
CID 56747328
2-methyl-5-(2-oxo-2-{4-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70769103
2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 70785403
2-Isobutyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72913182

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide?
The IUPAC name of 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide (CID 90841217) is 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide.
What is the SMILES notation for 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide?
The canonical SMILES for 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide is Cc1ncc(CC(=O)NCCCCCc2ncc(CC(=O)N3CCCC3)c(=O)[nH]2)c(=O)[nH]1.
What is the InChIKey of 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide?
The InChIKey is JJVFIJNYKZRTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O4/c1-15-24-13-16(21(31)26-15)11-19(29)23-8-4-2-3-7-18-25-14-17(22(32)27-18)12-20(30)28-9-5-6-10-28/h13-14H,2-12H2,1H3,(H,23,29)(H,24,26,31)(H,25,27,32).
What are the key properties of 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide?
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide has a molecular weight of 442.52 g/mol, XLogP of 0.40, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide is sourced from PubChem (CID 90841217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).