7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine

C19H19N9 — CID 163352347

IUPAC7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine
SMILESCn1cnc2ncnc(N3CCN(c4nccc(-c5cccnc5)n4)CC3)c21
InChIInChI=1S/C19H19N9/c1-26-13-24-17-16(26)18(23-12-22-17)27-7-9-28(10-8-27)19-21-6-4-15(25-19)14-3-2-5-20-11-14/h2-6,11-13H,7-10H2,1H3
InChIKeyPXHQDSHPZXFZAQ-UHFFFAOYSA-N
MW373.42 g/mol
LogP1.54
Rot. Bonds3

About 7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine

7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine (PubChem CID 163352347) has the molecular formula C19H19N9 and a molecular weight of 373.42 g/mol. Its IUPAC name is 7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine.

Molecular Properties

Compound Name7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine
PubChem CID163352347
Molecular FormulaC19H19N9
Molecular Weight373.42 g/mol
Exact Mass373.18
IUPAC Name7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine
SMILESCn1cnc2ncnc(N3CCN(c4nccc(-c5cccnc5)n4)CC3)c21
InChIInChI=1S/C19H19N9/c1-26-13-24-17-16(26)18(23-12-22-17)27-7-9-28(10-8-27)19-21-6-4-15(25-19)14-3-2-5-20-11-14/h2-6,11-13H,7-10H2,1H3
InChIKeyPXHQDSHPZXFZAQ-UHFFFAOYSA-N
XLogP1.54
TPSA88.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
CID 44613762
2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 163351985
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 74231908
6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine
CID 154853588
1-methylsulfonyl-4-(4-pyridin-3-ylpyrimidin-2-yl)-1,4-diazepane
CID 72893326
6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-7-methylpurine
CID 163352063
(1S,6R)-9-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 133138519
2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 163357268
7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
CID 154853679
4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine
CID 163356780
4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 71449666
1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one
CID 72861594

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine?
The IUPAC name of 7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine (CID 163352347) is 7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine.
What is the SMILES notation for 7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine?
The canonical SMILES for 7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine is Cn1cnc2ncnc(N3CCN(c4nccc(-c5cccnc5)n4)CC3)c21.
What is the InChIKey of 7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine?
The InChIKey is PXHQDSHPZXFZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9/c1-26-13-24-17-16(26)18(23-12-22-17)27-7-9-28(10-8-27)19-21-6-4-15(25-19)14-3-2-5-20-11-14/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine?
7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine has a molecular weight of 373.42 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine is sourced from PubChem (CID 163352347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).