2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide

C14H23ClN6O — CID 31537927

IUPAC2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C14H23ClN6O/c1-10(2)8-17-13(22)9-20-3-5-21(6-4-20)12-7-11(15)18-14(16)19-12/h7,10H,3-6,8-9H2,1-2H3,(H,17,22)(H2,16,18,19)
InChIKeyXRZVARMHZIXINU-UHFFFAOYSA-N
MW326.83 g/mol
LogP0.61
Rot. Bonds5

About 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide

2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 31537927) has the molecular formula C14H23ClN6O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID31537927
Molecular FormulaC14H23ClN6O
Molecular Weight326.83 g/mol
Exact Mass326.16
IUPAC Name2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C14H23ClN6O/c1-10(2)8-17-13(22)9-20-3-5-21(6-4-20)12-7-11(15)18-14(16)19-12/h7,10H,3-6,8-9H2,1-2H3,(H,17,22)(H2,16,18,19)
InChIKeyXRZVARMHZIXINU-UHFFFAOYSA-N
XLogP0.61
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide 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 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 31537927) is 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1CCN(c2cc(Cl)nc(N)n2)CC1.
What is the InChIKey of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is XRZVARMHZIXINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN6O/c1-10(2)8-17-13(22)9-20-3-5-21(6-4-20)12-7-11(15)18-14(16)19-12/h7,10H,3-6,8-9H2,1-2H3,(H,17,22)(H2,16,18,19).
What are the key properties of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 326.83 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 31537927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).