1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one

C14H16N6O — CID 72894729

IUPAC1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1nccc(-c2cccnc2)n1
InChIInChI=1S/C14H16N6O/c21-14-18-7-9-20(14)8-6-17-13-16-5-3-12(19-13)11-2-1-4-15-10-11/h1-5,10H,6-9H2,(H,18,21)(H,16,17,19)
InChIKeyJLXJQVRVMJGEMR-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.98
Rot. Bonds5

About 1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one

1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one (PubChem CID 72894729) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one
PubChem CID72894729
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1nccc(-c2cccnc2)n1
InChIInChI=1S/C14H16N6O/c21-14-18-7-9-20(14)8-6-17-13-16-5-3-12(19-13)11-2-1-4-15-10-11/h1-5,10H,6-9H2,(H,18,21)(H,16,17,19)
InChIKeyJLXJQVRVMJGEMR-UHFFFAOYSA-N
XLogP0.98
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one (CID 72894729) is 1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1nccc(-c2cccnc2)n1.
What is the InChIKey of 1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one?
The InChIKey is JLXJQVRVMJGEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c21-14-18-7-9-20(14)8-6-17-13-16-5-3-12(19-13)11-2-1-4-15-10-11/h1-5,10H,6-9H2,(H,18,21)(H,16,17,19).
What are the key properties of 1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one?
1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one has a molecular weight of 284.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 72894729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).