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

C13H18N4O4 — CID 62045733

IUPAC6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCNC(=O)CC1
InChIInChI=1S/C13H18N4O4/c1-8-9(12(20)16-13(21)15-8)2-3-11(19)17-6-4-10(18)14-5-7-17/h2-7H2,1H3,(H,14,18)(H2,15,16,20,21)
InChIKeyDWXHWCKVFDGRQP-UHFFFAOYSA-N
MW294.31 g/mol
LogP-1.35
Rot. Bonds3

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

6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione (PubChem CID 62045733) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione
PubChem CID62045733
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCNC(=O)CC1
InChIInChI=1S/C13H18N4O4/c1-8-9(12(20)16-13(21)15-8)2-3-11(19)17-6-4-10(18)14-5-7-17/h2-7H2,1H3,(H,14,18)(H2,15,16,20,21)
InChIKeyDWXHWCKVFDGRQP-UHFFFAOYSA-N
XLogP-1.35
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione (CID 62045733) is 6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCNC(=O)CC1.
What is the InChIKey of 6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DWXHWCKVFDGRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-8-9(12(20)16-13(21)15-8)2-3-11(19)17-6-4-10(18)14-5-7-17/h2-7H2,1H3,(H,14,18)(H2,15,16,20,21).
What are the key properties of 6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione has a molecular weight of 294.31 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 62045733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).