4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one

C12H18ClN5O2 — CID 63608153

IUPAC4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
SMILESCC(C)Oc1nc(Cl)nc(N2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C12H18ClN5O2/c1-7(2)20-11-16-9(13)15-10(17-11)18-6-5-14-8(19)12(18,3)4/h7H,5-6H2,1-4H3,(H,14,19)
InChIKeyPXXOICKSRWCFFG-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.03
Rot. Bonds3

About 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one

4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one (PubChem CID 63608153) has the molecular formula C12H18ClN5O2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
PubChem CID63608153
Molecular FormulaC12H18ClN5O2
Molecular Weight299.76 g/mol
Exact Mass299.11
IUPAC Name4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
SMILESCC(C)Oc1nc(Cl)nc(N2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C12H18ClN5O2/c1-7(2)20-11-16-9(13)15-10(17-11)18-6-5-14-8(19)12(18,3)4/h7H,5-6H2,1-4H3,(H,14,19)
InChIKeyPXXOICKSRWCFFG-UHFFFAOYSA-N
XLogP1.03
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one (CID 63608153) is 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one is CC(C)Oc1nc(Cl)nc(N2CCNC(=O)C2(C)C)n1.
What is the InChIKey of 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one?
The InChIKey is PXXOICKSRWCFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2/c1-7(2)20-11-16-9(13)15-10(17-11)18-6-5-14-8(19)12(18,3)4/h7H,5-6H2,1-4H3,(H,14,19).
What are the key properties of 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one?
4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one has a molecular weight of 299.76 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63608153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).