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

C17H12Cl2N6O — CID 90284642

IUPAC[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol
SMILESOC(Nc1ncccn1)c1c(-c2ccc(Cl)cc2Cl)nc2ncccn12
InChIInChI=1S/C17H12Cl2N6O/c18-10-3-4-11(12(19)9-10)13-14(25-8-2-7-22-17(25)23-13)15(26)24-16-20-5-1-6-21-16/h1-9,15,26H,(H,20,21,24)
InChIKeyNZPKWRVMPFMIRR-UHFFFAOYSA-N
MW387.23 g/mol
LogP3.60
Rot. Bonds4

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

[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol (PubChem CID 90284642) has the molecular formula C17H12Cl2N6O and a molecular weight of 387.23 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol
PubChem CID90284642
Molecular FormulaC17H12Cl2N6O
Molecular Weight387.23 g/mol
Exact Mass386.04
IUPAC Name[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol
SMILESOC(Nc1ncccn1)c1c(-c2ccc(Cl)cc2Cl)nc2ncccn12
InChIInChI=1S/C17H12Cl2N6O/c18-10-3-4-11(12(19)9-10)13-14(25-8-2-7-22-17(25)23-13)15(26)24-16-20-5-1-6-21-16/h1-9,15,26H,(H,20,21,24)
InChIKeyNZPKWRVMPFMIRR-UHFFFAOYSA-N
XLogP3.60
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 53.60
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-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol?
The IUPAC name of [2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol (CID 90284642) is [2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol.
What is the SMILES notation for [2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol?
The canonical SMILES for [2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol is OC(Nc1ncccn1)c1c(-c2ccc(Cl)cc2Cl)nc2ncccn12.
What is the InChIKey of [2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol?
The InChIKey is NZPKWRVMPFMIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N6O/c18-10-3-4-11(12(19)9-10)13-14(25-8-2-7-22-17(25)23-13)15(26)24-16-20-5-1-6-21-16/h1-9,15,26H,(H,20,21,24).
What are the key properties of [2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol?
[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol has a molecular weight of 387.23 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol is sourced from PubChem (CID 90284642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).