1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one

C18H22N8O — CID 59408939

IUPAC1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one
SMILESCC(C)n1cnc2c(NCCN3CCNC3=O)nc(-c3cccnc3)nc21
InChIInChI=1S/C18H22N8O/c1-12(2)26-11-22-14-16(20-6-8-25-9-7-21-18(25)27)23-15(24-17(14)26)13-4-3-5-19-10-13/h3-5,10-12H,6-9H2,1-2H3,(H,21,27)(H,20,23,24)
InChIKeySJMRYXNTPFDDIJ-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.91
Rot. Bonds6

About 1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one

1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one (PubChem CID 59408939) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one
PubChem CID59408939
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one
SMILESCC(C)n1cnc2c(NCCN3CCNC3=O)nc(-c3cccnc3)nc21
InChIInChI=1S/C18H22N8O/c1-12(2)26-11-22-14-16(20-6-8-25-9-7-21-18(25)27)23-15(24-17(14)26)13-4-3-5-19-10-13/h3-5,10-12H,6-9H2,1-2H3,(H,21,27)(H,20,23,24)
InChIKeySJMRYXNTPFDDIJ-UHFFFAOYSA-N
XLogP1.91
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one (CID 59408939) is 1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one is CC(C)n1cnc2c(NCCN3CCNC3=O)nc(-c3cccnc3)nc21.
What is the InChIKey of 1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one?
The InChIKey is SJMRYXNTPFDDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-12(2)26-11-22-14-16(20-6-8-25-9-7-21-18(25)27)23-15(24-17(14)26)13-4-3-5-19-10-13/h3-5,10-12H,6-9H2,1-2H3,(H,21,27)(H,20,23,24).
What are the key properties of 1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one?
1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one has a molecular weight of 366.43 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 59408939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).