5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione

C13H23N5O2 — CID 82891703

IUPAC5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CCN2CCN(C)CC2)c1=O
InChIInChI=1S/C13H23N5O2/c1-3-17-10-11(14)12(19)18(13(17)20)9-8-16-6-4-15(2)5-7-16/h10H,3-9,14H2,1-2H3
InChIKeyMOMQSZHABDNGLZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP-1.14
Rot. Bonds4

About 5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione

5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 82891703) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
PubChem CID82891703
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CCN2CCN(C)CC2)c1=O
InChIInChI=1S/C13H23N5O2/c1-3-17-10-11(14)12(19)18(13(17)20)9-8-16-6-4-15(2)5-7-16/h10H,3-9,14H2,1-2H3
InChIKeyMOMQSZHABDNGLZ-UHFFFAOYSA-N
XLogP-1.14
TPSA76.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione (CID 82891703) is 5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione is CCn1cc(N)c(=O)n(CCN2CCN(C)CC2)c1=O.
What is the InChIKey of 5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is MOMQSZHABDNGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-17-10-11(14)12(19)18(13(17)20)9-8-16-6-4-15(2)5-7-16/h10H,3-9,14H2,1-2H3.
What are the key properties of 5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of -1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 82891703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).