6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione

C10H17N5O2 — CID 7131137

IUPAC6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione
SMILESCn1c(N)c(N2CCNCC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N5O2/c1-13-8(11)7(9(16)14(2)10(13)17)15-5-3-12-4-6-15/h12H,3-6,11H2,1-2H3
InChIKeyOPTHSSHXXDHLHK-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.92
Rot. Bonds1

About 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione (PubChem CID 7131137) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione
PubChem CID7131137
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione
SMILESCn1c(N)c(N2CCNCC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N5O2/c1-13-8(11)7(9(16)14(2)10(13)17)15-5-3-12-4-6-15/h12H,3-6,11H2,1-2H3
InChIKeyOPTHSSHXXDHLHK-UHFFFAOYSA-N
XLogP-1.92
TPSA85.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione (CID 7131137) is 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione is Cn1c(N)c(N2CCNCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione?
The InChIKey is OPTHSSHXXDHLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-13-8(11)7(9(16)14(2)10(13)17)15-5-3-12-4-6-15/h12H,3-6,11H2,1-2H3.
What are the key properties of 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione has a molecular weight of 239.28 g/mol, XLogP of -1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 7131137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).