2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol

C21H27N7O — CID 54094614

IUPAC2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol
SMILESCn1c(-c2ccccc2O)cc2c(N3CCNCC3)nc(N3CCNCC3)nc21
InChIInChI=1S/C21H27N7O/c1-26-17(15-4-2-3-5-18(15)29)14-16-19(26)24-21(28-12-8-23-9-13-28)25-20(16)27-10-6-22-7-11-27/h2-5,14,22-23,29H,6-13H2,1H3
InChIKeyMWGAMYHFTBHHBK-UHFFFAOYSA-N
MW393.50 g/mol
LogP1.16
Rot. Bonds3

About 2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol

2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol (PubChem CID 54094614) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is 2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol
PubChem CID54094614
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol
SMILESCn1c(-c2ccccc2O)cc2c(N3CCNCC3)nc(N3CCNCC3)nc21
InChIInChI=1S/C21H27N7O/c1-26-17(15-4-2-3-5-18(15)29)14-16-19(26)24-21(28-12-8-23-9-13-28)25-20(16)27-10-6-22-7-11-27/h2-5,14,22-23,29H,6-13H2,1H3
InChIKeyMWGAMYHFTBHHBK-UHFFFAOYSA-N
XLogP1.16
TPSA81.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol;trihydrobromide
CID 67811850
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 67795133
[4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenyl] hydrogen sulfate
CID 142646130
4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide
CID 18981251
2-[2-(1,4-diazepan-1-yl)pyrimidin-4-yl]phenol
CID 136967152
4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide
CID 139683395
9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine
CID 15016744
3-chloro-1-piperazin-1-ylisoquinoline
CID 23155794
6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline
CID 137380754
4-methyl-2-piperazin-1-ylquinoline
CID 598754
(4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidin-5-yl) 4-chlorobenzoate
CID 67922259
6-(2,6-dichlorophenyl)-8-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-7-one
CID 10362936

Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
The IUPAC name of 2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol (CID 54094614) is 2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol.
What is the SMILES notation for 2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
The canonical SMILES for 2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol is Cn1c(-c2ccccc2O)cc2c(N3CCNCC3)nc(N3CCNCC3)nc21.
What is the InChIKey of 2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
The InChIKey is MWGAMYHFTBHHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O/c1-26-17(15-4-2-3-5-18(15)29)14-16-19(26)24-21(28-12-8-23-9-13-28)25-20(16)27-10-6-22-7-11-27/h2-5,14,22-23,29H,6-13H2,1H3.
What are the key properties of 2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol has a molecular weight of 393.50 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol is sourced from PubChem (CID 54094614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).