4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol

C18H20N4O — CID 25148037

IUPAC4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C18H20N4O/c23-15-9-7-13(8-10-15)16-17(20-14-5-2-1-3-6-14)22-12-4-11-19-18(22)21-16/h4,7-12,14,20,23H,1-3,5-6H2
InChIKeyPXDOWORJQOOZKP-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.85
Rot. Bonds3

About 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol

4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol (PubChem CID 25148037) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol
PubChem CID25148037
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C18H20N4O/c23-15-9-7-13(8-10-15)16-17(20-14-5-2-1-3-6-14)22-12-4-11-19-18(22)21-16/h4,7-12,14,20,23H,1-3,5-6H2
InChIKeyPXDOWORJQOOZKP-UHFFFAOYSA-N
XLogP3.85
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The IUPAC name of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol (CID 25148037) is 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol is Oc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1.
What is the InChIKey of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The InChIKey is PXDOWORJQOOZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-15-9-7-13(8-10-15)16-17(20-14-5-2-1-3-6-14)22-12-4-11-19-18(22)21-16/h4,7-12,14,20,23H,1-3,5-6H2.
What are the key properties of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol has a molecular weight of 308.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 25148037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).