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

C19H15BrN4O — CID 20851730

IUPAC4-bromo-2-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESCc1cccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn23)c1
InChIInChI=1S/C19H15BrN4O/c1-12-4-2-5-14(10-12)22-18-17(15-11-13(20)6-7-16(15)25)23-19-21-8-3-9-24(18)19/h2-11,22,25H,1H3
InChIKeyPKQGAMQAVLREFR-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.92
Rot. Bonds3

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

4-bromo-2-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol (PubChem CID 20851730) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is 4-bromo-2-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
PubChem CID20851730
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC Name4-bromo-2-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESCc1cccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn23)c1
InChIInChI=1S/C19H15BrN4O/c1-12-4-2-5-14(10-12)22-18-17(15-11-13(20)6-7-16(15)25)23-19-21-8-3-9-24(18)19/h2-11,22,25H,1H3
InChIKeyPKQGAMQAVLREFR-UHFFFAOYSA-N
XLogP4.92
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The IUPAC name of 4-bromo-2-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol (CID 20851730) is 4-bromo-2-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-bromo-2-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 4-bromo-2-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol is Cc1cccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn23)c1.
What is the InChIKey of 4-bromo-2-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The InChIKey is PKQGAMQAVLREFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c1-12-4-2-5-14(10-12)22-18-17(15-11-13(20)6-7-16(15)25)23-19-21-8-3-9-24(18)19/h2-11,22,25H,1H3.
What are the key properties of 4-bromo-2-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
4-bromo-2-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol has a molecular weight of 395.26 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 20851730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).