6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione

C17H25N5O4 — CID 39974871

IUPAC6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H25N5O4/c1-12-13(15(24)19-16(25)18-12)4-5-14(23)20-8-10-22(11-9-20)17(26)21-6-2-3-7-21/h2-11H2,1H3,(H2,18,19,24,25)
InChIKeyFAPJDNYSDFNRFS-UHFFFAOYSA-N
MW363.42 g/mol
LogP-0.34
Rot. Bonds3

About 6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione (PubChem CID 39974871) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
PubChem CID39974871
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H25N5O4/c1-12-13(15(24)19-16(25)18-12)4-5-14(23)20-8-10-22(11-9-20)17(26)21-6-2-3-7-21/h2-11H2,1H3,(H2,18,19,24,25)
InChIKeyFAPJDNYSDFNRFS-UHFFFAOYSA-N
XLogP-0.34
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione (CID 39974871) is 6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of 6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The InChIKey is FAPJDNYSDFNRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-12-13(15(24)19-16(25)18-12)4-5-14(23)20-8-10-22(11-9-20)17(26)21-6-2-3-7-21/h2-11H2,1H3,(H2,18,19,24,25).
What are the key properties of 6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione has a molecular weight of 363.42 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 39974871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).