6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine

C17H20N8 — CID 154853625

IUPAC6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine
SMILESCn1cnc2c(N3CCN(c4cc(C5CC5)ncn4)CC3)ncnc21
InChIInChI=1S/C17H20N8/c1-23-11-22-15-16(23)20-10-21-17(15)25-6-4-24(5-7-25)14-8-13(12-2-3-12)18-9-19-14/h8-12H,2-7H2,1H3
InChIKeyFYXBTDHLWFPHJM-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.36
Rot. Bonds3

About 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine

6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine (PubChem CID 154853625) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine.

Molecular Properties

Compound Name6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine
PubChem CID154853625
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine
SMILESCn1cnc2c(N3CCN(c4cc(C5CC5)ncn4)CC3)ncnc21
InChIInChI=1S/C17H20N8/c1-23-11-22-15-16(23)20-10-21-17(15)25-6-4-24(5-7-25)14-8-13(12-2-3-12)18-9-19-14/h8-12H,2-7H2,1H3
InChIKeyFYXBTDHLWFPHJM-UHFFFAOYSA-N
XLogP1.36
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(azetidin-1-yl)-9-methylpurine
CID 147079717
9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine
CID 171999134
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 72859199
N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976256
6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine
CID 163354244
7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
CID 154853679
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine
CID 139022902
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122279677
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701942

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine?
The IUPAC name of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine (CID 154853625) is 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine.
What is the SMILES notation for 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine?
The canonical SMILES for 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine is Cn1cnc2c(N3CCN(c4cc(C5CC5)ncn4)CC3)ncnc21.
What is the InChIKey of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine?
The InChIKey is FYXBTDHLWFPHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-23-11-22-15-16(23)20-10-21-17(15)25-6-4-24(5-7-25)14-8-13(12-2-3-12)18-9-19-14/h8-12H,2-7H2,1H3.
What are the key properties of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine?
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine has a molecular weight of 336.40 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine is sourced from PubChem (CID 154853625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).