9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine

C16H18N8 — CID 154829192

IUPAC9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine
SMILESc1cnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)nc1
InChIInChI=1S/C16H18N8/c1-4-17-16(18-5-1)23-8-6-22(7-9-23)14-13-15(20-10-19-14)24(11-21-13)12-2-3-12/h1,4-5,10-12H,2-3,6-9H2
InChIKeyHORZYBVHORTYRV-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.28
Rot. Bonds3

About 9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine

9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine (PubChem CID 154829192) has the molecular formula C16H18N8 and a molecular weight of 322.38 g/mol. Its IUPAC name is 9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine.

Molecular Properties

Compound Name9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine
PubChem CID154829192
Molecular FormulaC16H18N8
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine
SMILESc1cnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)nc1
InChIInChI=1S/C16H18N8/c1-4-17-16(18-5-1)23-8-6-22(7-9-23)14-13-15(20-10-19-14)24(11-21-13)12-2-3-12/h1,4-5,10-12H,2-3,6-9H2
InChIKeyHORZYBVHORTYRV-UHFFFAOYSA-N
XLogP1.28
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-9-cyclopropylpurine
CID 155980660
9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine
CID 172882518
9-cyclopropyl-6-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]purine
CID 163344644
9-cyclopropyl-6-(3-methylpiperidin-1-yl)purine
CID 163354022
6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 155980578
2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 155980603
5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 155980616
4-[4-[9-[4-(hydroxymethyl)cyclohexyl]purin-6-yl]piperazin-1-yl]phenol
CID 167818272
(2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid
CID 122051660
5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 163344591
7-bromo-3-cyclopropylimidazo[4,5-b]pyridine
CID 84700561
1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106461

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine?
The IUPAC name of 9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine (CID 154829192) is 9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine.
What is the SMILES notation for 9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine?
The canonical SMILES for 9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine is c1cnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)nc1.
What is the InChIKey of 9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine?
The InChIKey is HORZYBVHORTYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8/c1-4-17-16(18-5-1)23-8-6-22(7-9-23)14-13-15(20-10-19-14)24(11-21-13)12-2-3-12/h1,4-5,10-12H,2-3,6-9H2.
What are the key properties of 9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine?
9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine has a molecular weight of 322.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine is sourced from PubChem (CID 154829192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).