6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine

C17H20N8 — CID 154580454

IUPAC6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
SMILESCc1cc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc(C2CC2)n1
InChIInChI=1S/C17H20N8/c1-11-8-13(23-15(22-11)12-2-3-12)24-4-6-25(7-5-24)17-14-16(19-9-18-14)20-10-21-17/h8-10,12H,2-7H2,1H3,(H,18,19,20,21)
InChIKeyVQQBPEIUJNKQHD-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.66
Rot. Bonds3

About 6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine

6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine (PubChem CID 154580454) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
PubChem CID154580454
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
SMILESCc1cc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc(C2CC2)n1
InChIInChI=1S/C17H20N8/c1-11-8-13(23-15(22-11)12-2-3-12)24-4-6-25(7-5-24)17-14-16(19-9-18-14)20-10-21-17/h8-10,12H,2-7H2,1H3,(H,18,19,20,21)
InChIKeyVQQBPEIUJNKQHD-UHFFFAOYSA-N
XLogP1.66
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine 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 6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine?
The IUPAC name of 6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine (CID 154580454) is 6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine.
What is the SMILES notation for 6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine?
The canonical SMILES for 6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine is Cc1cc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc(C2CC2)n1.
What is the InChIKey of 6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine?
The InChIKey is VQQBPEIUJNKQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-11-8-13(23-15(22-11)12-2-3-12)24-4-6-25(7-5-24)17-14-16(19-9-18-14)20-10-21-17/h8-10,12H,2-7H2,1H3,(H,18,19,20,21).
What are the key properties of 6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine?
6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine has a molecular weight of 336.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine is sourced from PubChem (CID 154580454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).