1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione

C14H24N4O2 — CID 71900504

IUPAC1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
SMILESCCCN1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C14H24N4O2/c1-4-5-17-6-8-18(9-7-17)11-12-10-13(19)16(3)14(20)15(12)2/h10H,4-9,11H2,1-3H3
InChIKeyJEEHHIVWPXYBRJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.39
Rot. Bonds4

About 1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione (PubChem CID 71900504) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
PubChem CID71900504
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
SMILESCCCN1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C14H24N4O2/c1-4-5-17-6-8-18(9-7-17)11-12-10-13(19)16(3)14(20)15(12)2/h10H,4-9,11H2,1-3H3
InChIKeyJEEHHIVWPXYBRJ-UHFFFAOYSA-N
XLogP-0.39
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione (CID 71900504) is 1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione is CCCN1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of 1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is JEEHHIVWPXYBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-5-17-6-8-18(9-7-17)11-12-10-13(19)16(3)14(20)15(12)2/h10H,4-9,11H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of -0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 71900504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).