[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol

C17H13ClN6O — CID 68624360

IUPAC[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol
SMILESOC(Nc1ncccn1)c1c(-c2ccc(Cl)cc2)nc2ncccn12
InChIInChI=1S/C17H13ClN6O/c18-12-5-3-11(4-6-12)13-14(24-10-2-9-21-17(24)22-13)15(25)23-16-19-7-1-8-20-16/h1-10,15,25H,(H,19,20,23)
InChIKeyHAYXSWCGTIKBIS-UHFFFAOYSA-N
MW352.79 g/mol
LogP2.94
Rot. Bonds4

About [2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol

[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol (PubChem CID 68624360) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is [2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol.

Molecular Properties

Compound Name[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol
PubChem CID68624360
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC Name[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol
SMILESOC(Nc1ncccn1)c1c(-c2ccc(Cl)cc2)nc2ncccn12
InChIInChI=1S/C17H13ClN6O/c18-12-5-3-11(4-6-12)13-14(24-10-2-9-21-17(24)22-13)15(25)23-16-19-7-1-8-20-16/h1-10,15,25H,(H,19,20,23)
InChIKeyHAYXSWCGTIKBIS-UHFFFAOYSA-N
XLogP2.94
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol?
The IUPAC name of [2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol (CID 68624360) is [2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol.
What is the SMILES notation for [2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol?
The canonical SMILES for [2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol is OC(Nc1ncccn1)c1c(-c2ccc(Cl)cc2)nc2ncccn12.
What is the InChIKey of [2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol?
The InChIKey is HAYXSWCGTIKBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O/c18-12-5-3-11(4-6-12)13-14(24-10-2-9-21-17(24)22-13)15(25)23-16-19-7-1-8-20-16/h1-10,15,25H,(H,19,20,23).
What are the key properties of [2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol?
[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol has a molecular weight of 352.79 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol is sourced from PubChem (CID 68624360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).