7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine

C17H19N9 — CID 154853672

IUPAC7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine
SMILESCc1cc2ncnc(N3CCN(c4ncnc5ncn(C)c45)CC3)c2[nH]1
InChIInChI=1S/C17H19N9/c1-11-7-12-13(23-11)16(20-8-18-12)25-3-5-26(6-4-25)17-14-15(19-9-21-17)22-10-24(14)2/h7-10,23H,3-6H2,1-2H3
InChIKeyXPHGNNMWQTWQER-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.27
Rot. Bonds2

About 7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine

7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine (PubChem CID 154853672) has the molecular formula C17H19N9 and a molecular weight of 349.40 g/mol. Its IUPAC name is 7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine.

Molecular Properties

Compound Name7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine
PubChem CID154853672
Molecular FormulaC17H19N9
Molecular Weight349.40 g/mol
Exact Mass349.18
IUPAC Name7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine
SMILESCc1cc2ncnc(N3CCN(c4ncnc5ncn(C)c45)CC3)c2[nH]1
InChIInChI=1S/C17H19N9/c1-11-7-12-13(23-11)16(20-8-18-12)25-3-5-26(6-4-25)17-14-15(19-9-21-17)22-10-24(14)2/h7-10,23H,3-6H2,1-2H3
InChIKeyXPHGNNMWQTWQER-UHFFFAOYSA-N
XLogP1.27
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine with MolForge

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Related Compounds

6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine
CID 166605553
7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
CID 154853679
N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 155942652
6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine
CID 154853588
N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155981603
4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 155798932
6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine
CID 163344430
7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 155798866
3-(2-hydroxyethyl)-7-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898928
6-(4-imidazo[1,2-b]pyridazin-6-yl-1,4-diazepan-1-yl)-7-methylpurine
CID 163344989
6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine
CID 126934198
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 154829274

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine?
The IUPAC name of 7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine (CID 154853672) is 7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine.
What is the SMILES notation for 7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine?
The canonical SMILES for 7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine is Cc1cc2ncnc(N3CCN(c4ncnc5ncn(C)c45)CC3)c2[nH]1.
What is the InChIKey of 7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine?
The InChIKey is XPHGNNMWQTWQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9/c1-11-7-12-13(23-11)16(20-8-18-12)25-3-5-26(6-4-25)17-14-15(19-9-21-17)22-10-24(14)2/h7-10,23H,3-6H2,1-2H3.
What are the key properties of 7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine?
7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine has a molecular weight of 349.40 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine is sourced from PubChem (CID 154853672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).