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

C19H16N4O — CID 7338267

IUPAC4-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESCc1cccc(Nc2c(-c3ccc(O)cc3)nc3ncccn23)c1
InChIInChI=1S/C19H16N4O/c1-13-4-2-5-15(12-13)21-18-17(14-6-8-16(24)9-7-14)22-19-20-10-3-11-23(18)19/h2-12,21,24H,1H3
InChIKeyTZUHTYIMCNBSJD-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.15
Rot. Bonds3

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

4-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol (PubChem CID 7338267) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
PubChem CID7338267
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESCc1cccc(Nc2c(-c3ccc(O)cc3)nc3ncccn23)c1
InChIInChI=1S/C19H16N4O/c1-13-4-2-5-15(12-13)21-18-17(14-6-8-16(24)9-7-14)22-19-20-10-3-11-23(18)19/h2-12,21,24H,1H3
InChIKeyTZUHTYIMCNBSJD-UHFFFAOYSA-N
XLogP4.15
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The IUPAC name of 4-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol (CID 7338267) is 4-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol is Cc1cccc(Nc2c(-c3ccc(O)cc3)nc3ncccn23)c1.
What is the InChIKey of 4-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The InChIKey is TZUHTYIMCNBSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-4-2-5-15(12-13)21-18-17(14-6-8-16(24)9-7-14)22-19-20-10-3-11-23(18)19/h2-12,21,24H,1H3.
What are the key properties of 4-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
4-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol has a molecular weight of 316.36 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 7338267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).