4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol

C21H25N5O — CID 10690093

IUPAC4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol
SMILESCn1c(-c2ccc(O)cc2)cc2c(N3CCCC3)nc(N3CCCC3)nc21
InChIInChI=1S/C21H25N5O/c1-24-18(15-6-8-16(27)9-7-15)14-17-19(24)22-21(26-12-4-5-13-26)23-20(17)25-10-2-3-11-25/h6-9,14,27H,2-5,10-13H2,1H3
InChIKeyLMMVALFLUHXSME-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.54
Rot. Bonds3

About 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol

4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol (PubChem CID 10690093) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol.

Molecular Properties

Compound Name4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol
PubChem CID10690093
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol
SMILESCn1c(-c2ccc(O)cc2)cc2c(N3CCCC3)nc(N3CCCC3)nc21
InChIInChI=1S/C21H25N5O/c1-24-18(15-6-8-16(27)9-7-15)14-17-19(24)22-21(26-12-4-5-13-26)23-20(17)25-10-2-3-11-25/h6-9,14,27H,2-5,10-13H2,1H3
InChIKeyLMMVALFLUHXSME-UHFFFAOYSA-N
XLogP3.54
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol?
The IUPAC name of 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol (CID 10690093) is 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol.
What is the SMILES notation for 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol?
The canonical SMILES for 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol is Cn1c(-c2ccc(O)cc2)cc2c(N3CCCC3)nc(N3CCCC3)nc21.
What is the InChIKey of 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol?
The InChIKey is LMMVALFLUHXSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-24-18(15-6-8-16(27)9-7-15)14-17-19(24)22-21(26-12-4-5-13-26)23-20(17)25-10-2-3-11-25/h6-9,14,27H,2-5,10-13H2,1H3.
What are the key properties of 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol?
4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol has a molecular weight of 363.47 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)phenol is sourced from PubChem (CID 10690093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).