7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C15H21N5O — CID 57023419

IUPAC7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCN1C(=O)Cc2c(N3CCCC3)nc(N3CCCC3)nc21
InChIInChI=1S/C15H21N5O/c1-18-12(21)10-11-13(18)16-15(20-8-4-5-9-20)17-14(11)19-6-2-3-7-19/h2-10H2,1H3
InChIKeyHOCRAASTWYPSLJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.20
Rot. Bonds2

About 7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 57023419) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID57023419
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCN1C(=O)Cc2c(N3CCCC3)nc(N3CCCC3)nc21
InChIInChI=1S/C15H21N5O/c1-18-12(21)10-11-13(18)16-15(20-8-4-5-9-20)17-14(11)19-6-2-3-7-19/h2-10H2,1H3
InChIKeyHOCRAASTWYPSLJ-UHFFFAOYSA-N
XLogP1.20
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methyl-2,4-dipyrrolidin-1-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 54048210
4-amino-2-butoxy-7-(5-pyrrolidin-1-ylpentyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082096
4-amino-2-butoxy-7-(4-pyrrolidin-1-ylbutyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082102
4-amino-2-(butylamino)-7-(3-piperidin-1-ylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082103
4-amino-2-(butylamino)-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082104
4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082108
4-amino-2-butoxy-7-(6-pyrrolidin-1-ylhexyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082111
4-amino-2-butoxy-7-(3-pyrrolidin-1-ylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082115
4-amino-7-[3-(azetidin-1-yl)propyl]-2-butoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082123
4-amino-2-(butylamino)-7-[3-(4-methylpiperazin-1-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58291011
4-amino-2-(butylamino)-7-[2-(4-methylpiperazin-1-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58291019
4-amino-2-(butylamino)-7-[4-(4-propylpiperazin-1-yl)butyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58291036

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 57023419) is 7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is CN1C(=O)Cc2c(N3CCCC3)nc(N3CCCC3)nc21.
What is the InChIKey of 7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is HOCRAASTWYPSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-18-12(21)10-11-13(18)16-15(20-8-4-5-9-20)17-14(11)19-6-2-3-7-19/h2-10H2,1H3.
What are the key properties of 7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 287.37 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 57023419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).