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

C18H22N8 — CID 155798866

IUPAC7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine
SMILESCc1nc2c(c(N3CCN(c4ncnc5ncn(C)c45)CC3)n1)CCC2
InChIInChI=1S/C18H22N8/c1-12-22-14-5-3-4-13(14)17(23-12)25-6-8-26(9-7-25)18-15-16(19-10-20-18)21-11-24(15)2/h10-11H,3-9H2,1-2H3
InChIKeyZQIYIMUNWUZMHI-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.28
Rot. Bonds2

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

7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine (PubChem CID 155798866) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine.

Molecular Properties

Compound Name7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine
PubChem CID155798866
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine
SMILESCc1nc2c(c(N3CCN(c4ncnc5ncn(C)c45)CC3)n1)CCC2
InChIInChI=1S/C18H22N8/c1-12-22-14-5-3-4-13(14)17(23-12)25-6-8-26(9-7-25)18-15-16(19-10-20-18)21-11-24(15)2/h10-11H,3-9H2,1-2H3
InChIKeyZQIYIMUNWUZMHI-UHFFFAOYSA-N
XLogP1.28
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine?
The IUPAC name of 7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine (CID 155798866) is 7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine.
What is the SMILES notation for 7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine?
The canonical SMILES for 7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine is Cc1nc2c(c(N3CCN(c4ncnc5ncn(C)c45)CC3)n1)CCC2.
What is the InChIKey of 7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine?
The InChIKey is ZQIYIMUNWUZMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-12-22-14-5-3-4-13(14)17(23-12)25-6-8-26(9-7-25)18-15-16(19-10-20-18)21-11-24(15)2/h10-11H,3-9H2,1-2H3.
What are the key properties of 7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine?
7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine has a molecular weight of 350.43 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine is sourced from PubChem (CID 155798866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).