6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione

C15H19N5O2 — CID 2454145

IUPAC6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione
SMILESCn1c(N)c(N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H19N5O2/c1-18-13(16)12(14(21)17-15(18)22)20-9-7-19(8-10-20)11-5-3-2-4-6-11/h2-6H,7-10,16H2,1H3,(H,17,21,22)
InChIKeyUSVHCLROFSBOHG-UHFFFAOYSA-N
MW301.35 g/mol
LogP-0.02
Rot. Bonds2

About 6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione

6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione (PubChem CID 2454145) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione
PubChem CID2454145
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione
SMILESCn1c(N)c(N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H19N5O2/c1-18-13(16)12(14(21)17-15(18)22)20-9-7-19(8-10-20)11-5-3-2-4-6-11/h2-6H,7-10,16H2,1H3,(H,17,21,22)
InChIKeyUSVHCLROFSBOHG-UHFFFAOYSA-N
XLogP-0.02
TPSA87.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione (CID 2454145) is 6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione is Cn1c(N)c(N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione?
The InChIKey is USVHCLROFSBOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-18-13(16)12(14(21)17-15(18)22)20-9-7-19(8-10-20)11-5-3-2-4-6-11/h2-6H,7-10,16H2,1H3,(H,17,21,22).
What are the key properties of 6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione?
6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione has a molecular weight of 301.35 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 2454145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).