1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one

C14H13N7O — CID 58395974

IUPAC1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one
SMILESNc1nccc(-c2c[nH]c3nccc(N4CCNC4=O)c23)n1
InChIInChI=1S/C14H13N7O/c15-13-17-3-1-9(20-13)8-7-19-12-11(8)10(2-4-16-12)21-6-5-18-14(21)22/h1-4,7H,5-6H2,(H,16,19)(H,18,22)(H2,15,17,20)
InChIKeyMKEPSEHPIXJGKT-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.13
Rot. Bonds2

About 1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one

1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one (PubChem CID 58395974) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one
PubChem CID58395974
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one
SMILESNc1nccc(-c2c[nH]c3nccc(N4CCNC4=O)c23)n1
InChIInChI=1S/C14H13N7O/c15-13-17-3-1-9(20-13)8-7-19-12-11(8)10(2-4-16-12)21-6-5-18-14(21)22/h1-4,7H,5-6H2,(H,16,19)(H,18,22)(H2,15,17,20)
InChIKeyMKEPSEHPIXJGKT-UHFFFAOYSA-N
XLogP1.13
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one (CID 58395974) is 1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one is Nc1nccc(-c2c[nH]c3nccc(N4CCNC4=O)c23)n1.
What is the InChIKey of 1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one?
The InChIKey is MKEPSEHPIXJGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c15-13-17-3-1-9(20-13)8-7-19-12-11(8)10(2-4-16-12)21-6-5-18-14(21)22/h1-4,7H,5-6H2,(H,16,19)(H,18,22)(H2,15,17,20).
What are the key properties of 1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one?
1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one has a molecular weight of 295.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 58395974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).