6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine

C16H18N8 — CID 72859199

IUPAC6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
SMILESc1nc(C2CC2)cc(N2CCN(c3ncnc4nc[nH]c34)CC2)n1
InChIInChI=1S/C16H18N8/c1-2-11(1)12-7-13(18-8-17-12)23-3-5-24(6-4-23)16-14-15(20-9-19-14)21-10-22-16/h7-11H,1-6H2,(H,19,20,21,22)
InChIKeyIGKNZZRTWIRZBM-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.35
Rot. Bonds3

About 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine

6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine (PubChem CID 72859199) has the molecular formula C16H18N8 and a molecular weight of 322.38 g/mol. Its IUPAC name is 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
PubChem CID72859199
Molecular FormulaC16H18N8
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
SMILESc1nc(C2CC2)cc(N2CCN(c3ncnc4nc[nH]c34)CC2)n1
InChIInChI=1S/C16H18N8/c1-2-11(1)12-7-13(18-8-17-12)23-3-5-24(6-4-23)16-14-15(20-9-19-14)21-10-22-16/h7-11H,1-6H2,(H,19,20,21,22)
InChIKeyIGKNZZRTWIRZBM-UHFFFAOYSA-N
XLogP1.35
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 154580454
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine
CID 154853625
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122279677
1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
CID 138385634
6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine
CID 133300022
N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890839
6-(1,4-diazepan-1-yl)-7H-purine
CID 3702788

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine?
The IUPAC name of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine (CID 72859199) is 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine.
What is the SMILES notation for 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine?
The canonical SMILES for 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine is c1nc(C2CC2)cc(N2CCN(c3ncnc4nc[nH]c34)CC2)n1.
What is the InChIKey of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine?
The InChIKey is IGKNZZRTWIRZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8/c1-2-11(1)12-7-13(18-8-17-12)23-3-5-24(6-4-23)16-14-15(20-9-19-14)21-10-22-16/h7-11H,1-6H2,(H,19,20,21,22).
What are the key properties of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine?
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine has a molecular weight of 322.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine is sourced from PubChem (CID 72859199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).