2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one

C17H19N5O — CID 135962806

IUPAC2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)[nH]1
InChIInChI=1S/C17H19N5O/c23-15-9-14(13-10-19-16-12(13)7-4-8-18-16)21-17(22-15)20-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,18,19)(H2,20,21,22,23)
InChIKeyGEPQNEVMDIEFEL-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.06
Rot. Bonds3

About 2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one

2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one (PubChem CID 135962806) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
PubChem CID135962806
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)[nH]1
InChIInChI=1S/C17H19N5O/c23-15-9-14(13-10-19-16-12(13)7-4-8-18-16)21-17(22-15)20-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,18,19)(H2,20,21,22,23)
InChIKeyGEPQNEVMDIEFEL-UHFFFAOYSA-N
XLogP3.06
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one (CID 135962806) is 2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one is O=c1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)[nH]1.
What is the InChIKey of 2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is GEPQNEVMDIEFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-15-9-14(13-10-19-16-12(13)7-4-8-18-16)21-17(22-15)20-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,18,19)(H2,20,21,22,23).
What are the key properties of 2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 309.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135962806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).