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

C10H17ClN5O2- — CID 45105162

IUPAC6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione chloride
SMILESCn1c(N)c(N2CCNCC2)c(=O)n(C)c1=O.[Cl-]
InChIInChI=1S/C10H17N5O2.ClH/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;1H/p-1
InChIKeyAOWSDZNIMHMSCF-UHFFFAOYSA-M
MW274.73 g/mol
LogP-4.92
Rot. Bonds1

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

6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione chloride (PubChem CID 45105162) has the molecular formula C10H17ClN5O2- and a molecular weight of 274.73 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione chloride.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione chloride
PubChem CID45105162
Molecular FormulaC10H17ClN5O2-
Molecular Weight274.73 g/mol
Exact Mass274.11
IUPAC Name6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione chloride
SMILESCn1c(N)c(N2CCNCC2)c(=O)n(C)c1=O.[Cl-]
InChIInChI=1S/C10H17N5O2.ClH/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;1H/p-1
InChIKeyAOWSDZNIMHMSCF-UHFFFAOYSA-M
XLogP-4.92
TPSA85.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 5-4.92
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 chloride?
The IUPAC name of 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione chloride (CID 45105162) is 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione chloride.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione chloride?
The canonical SMILES for 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione chloride is Cn1c(N)c(N2CCNCC2)c(=O)n(C)c1=O.[Cl-].
What is the InChIKey of 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione chloride?
The InChIKey is AOWSDZNIMHMSCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17N5O2.ClH/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;1H/p-1.
What are the key properties of 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione chloride?
6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione chloride has a molecular weight of 274.73 g/mol, XLogP of -4.92, 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 chloride is sourced from PubChem (CID 45105162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).