6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine

C20H26N8 — CID 166605553

IUPAC6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1cc2ncnc(N3CCN(c4cc(N5CCCCC5)ncn4)CC3)c2[nH]1
InChIInChI=1S/C20H26N8/c1-15-11-16-19(25-15)20(24-13-21-16)28-9-7-27(8-10-28)18-12-17(22-14-23-18)26-5-3-2-4-6-26/h11-14,25H,2-10H2,1H3
InChIKeyYHDVMRMWSHMHPL-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.37
Rot. Bonds3

About 6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine

6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 166605553) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID166605553
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC Name6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1cc2ncnc(N3CCN(c4cc(N5CCCCC5)ncn4)CC3)c2[nH]1
InChIInChI=1S/C20H26N8/c1-15-11-16-19(25-15)20(24-13-21-16)28-9-7-27(8-10-28)18-12-17(22-14-23-18)26-5-3-2-4-6-26/h11-14,25H,2-10H2,1H3
InChIKeyYHDVMRMWSHMHPL-UHFFFAOYSA-N
XLogP2.37
TPSA77.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine (CID 166605553) is 6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine is Cc1cc2ncnc(N3CCN(c4cc(N5CCCCC5)ncn4)CC3)c2[nH]1.
What is the InChIKey of 6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is YHDVMRMWSHMHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-15-11-16-19(25-15)20(24-13-21-16)28-9-7-27(8-10-28)18-12-17(22-14-23-18)26-5-3-2-4-6-26/h11-14,25H,2-10H2,1H3.
What are the key properties of 6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine?
6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 378.48 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 166605553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).