[4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol

C19H16N4O — CID 10471016

IUPAC[4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol
SMILESNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(CO)cc1
InChIInChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)
InChIKeyQEKCMFKWDZHOOD-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.16
Rot. Bonds3

About [4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol

[4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol (PubChem CID 10471016) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is [4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol
PubChem CID10471016
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name[4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol
SMILESNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(CO)cc1
InChIInChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)
InChIKeyQEKCMFKWDZHOOD-UHFFFAOYSA-N
XLogP3.16
TPSA76.96 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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cgp-77675
CID 5311381
Cgp-62464
CID 354471
(3-Methyl-5-{[4-(2-phenyl-1h-imidazol-1-yl)pyrimidin-2-yl]amino}phenyl)methanol
CID 5329428
3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 18792861
3-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 44381237
3-[4-Amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
CID 44565877
2-[(4-Amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]propane-1,3-diol
CID 9948194
2-(3-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)benzylamino)ethanol
CID 10451087
Phenol, 3-[4-amino-7-(1-methylethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-
CID 11230964
5-(3-Methoxyphenyl)-7-phenyl-4-aminopyrrolo[2,3-d]pyrimidine
CID 15858662
3-(4-Amino-7-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenol
CID 18792927
3-{4-Amino-7-[4-(2-hydroxy-ethyl)-phenyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-phenol
CID 44334410

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol?
The IUPAC name of [4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol (CID 10471016) is [4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol.
What is the SMILES notation for [4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol?
The canonical SMILES for [4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol is Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(CO)cc1.
What is the InChIKey of [4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol?
The InChIKey is QEKCMFKWDZHOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22).
What are the key properties of [4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol?
[4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol has a molecular weight of 316.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methanol is sourced from PubChem (CID 10471016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).