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

C15H22N4O4 — CID 154859139

IUPAC6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCNC(=O)C1C(C)C
InChIInChI=1S/C15H22N4O4/c1-8(2)12-14(22)16-6-7-19(12)11(20)5-4-10-9(3)17-15(23)18-13(10)21/h8,12H,4-7H2,1-3H3,(H,16,22)(H2,17,18,21,23)
InChIKeyKVRAPXKHZTYYQP-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.71
Rot. Bonds4

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

6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione (PubChem CID 154859139) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione
PubChem CID154859139
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCNC(=O)C1C(C)C
InChIInChI=1S/C15H22N4O4/c1-8(2)12-14(22)16-6-7-19(12)11(20)5-4-10-9(3)17-15(23)18-13(10)21/h8,12H,4-7H2,1-3H3,(H,16,22)(H2,17,18,21,23)
InChIKeyKVRAPXKHZTYYQP-UHFFFAOYSA-N
XLogP-0.71
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.71
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-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione (CID 154859139) is 6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCNC(=O)C1C(C)C.
What is the InChIKey of 6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione?
The InChIKey is KVRAPXKHZTYYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-8(2)12-14(22)16-6-7-19(12)11(20)5-4-10-9(3)17-15(23)18-13(10)21/h8,12H,4-7H2,1-3H3,(H,16,22)(H2,17,18,21,23).
What are the key properties of 6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione has a molecular weight of 322.37 g/mol, XLogP of -0.71, 4 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-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154859139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).