4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol

C19H15ClN4O — CID 110431245

IUPAC4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESCc1cc2c(Nc3cc(Cl)ccc3O)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C19H15ClN4O/c1-11-9-14-18(21-11)23-17(12-5-3-2-4-6-12)24-19(14)22-15-10-13(20)7-8-16(15)25/h2-10,25H,1H3,(H2,21,22,23,24)
InChIKeyXITJGZWAPYXVSL-UHFFFAOYSA-N
MW350.81 g/mol
LogP5.04
Rot. Bonds3

About 4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol

4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol (PubChem CID 110431245) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol
PubChem CID110431245
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESCc1cc2c(Nc3cc(Cl)ccc3O)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C19H15ClN4O/c1-11-9-14-18(21-11)23-17(12-5-3-2-4-6-12)24-19(14)22-15-10-13(20)7-8-16(15)25/h2-10,25H,1H3,(H2,21,22,23,24)
InChIKeyXITJGZWAPYXVSL-UHFFFAOYSA-N
XLogP5.04
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.81
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431209
4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride
CID 18593652
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 110431153
4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol
CID 162237124
N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431076
N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430982
4-methyl-2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenol
CID 110430911
N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430534
2-(3-chlorophenyl)-6-methyl-N-pentyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430988
N-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430829
N-(5-chloro-2-methylphenyl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960897
2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430830

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol?
The IUPAC name of 4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol (CID 110431245) is 4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol?
The canonical SMILES for 4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol is Cc1cc2c(Nc3cc(Cl)ccc3O)nc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol?
The InChIKey is XITJGZWAPYXVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-11-9-14-18(21-11)23-17(12-5-3-2-4-6-12)24-19(14)22-15-10-13(20)7-8-16(15)25/h2-10,25H,1H3,(H2,21,22,23,24).
What are the key properties of 4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol?
4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol has a molecular weight of 350.81 g/mol, XLogP of 5.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 110431245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).