benzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine)

C24H20N6O2 — CID 139196670

IUPACbenzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine)
SMILESOc1ccc(O)cc1.c1cc(-c2cncnc2)ccn1.c1cc(-c2cncnc2)ccn1
InChIInChI=1S/2C9H7N3.C6H6O2/c2*1-3-10-4-2-8(1)9-5-11-7-12-6-9;7-5-1-2-6(8)4-3-5/h2*1-7H;1-4,7-8H
InChIKeyUMQUUNYMIBKBFI-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.18
Rot. Bonds2

About benzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine)

benzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine) (PubChem CID 139196670) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is benzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine).

Molecular Properties

Compound Namebenzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine)
PubChem CID139196670
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Namebenzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine)
SMILESOc1ccc(O)cc1.c1cc(-c2cncnc2)ccn1.c1cc(-c2cncnc2)ccn1
InChIInChI=1S/2C9H7N3.C6H6O2/c2*1-3-10-4-2-8(1)9-5-11-7-12-6-9;7-5-1-2-6(8)4-3-5/h2*1-7H;1-4,7-8H
InChIKeyUMQUUNYMIBKBFI-UHFFFAOYSA-N
XLogP4.18
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-({3-[5-(2-Methylphenyl)-2-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}methyl)phenol
CID 45166660
2-[[(3-Pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol
CID 122189306
4-(2-Amino-6-{bis[(Pyridin-2-Yl)methyl]amino}pyrimidin-4-Yl)phenol
CID 135567168
4-[2-[[2-(4-Pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117090280
Quinol:2(4,4'-bipyridine)
CID 139063025
Benzene-1,4-diol;bis(5-(4-imidazol-1-ylphenyl)pyrimidine)
CID 139196666
Benzene-1,3-diol;bis(5-pyridin-4-ylpyrimidine)
CID 139196669
2,4,6-Tris(4-hydroxyphenoxy)-1,3,5-triazine, 4,4'-bipyridine
CID 139197421
4-[[(3R)-3-[5-(2-fluorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol
CID 29152817
4-[[(3S)-3-[5-(2-fluorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol
CID 29152818
4-({3-[5-(2-Fluorophenyl)-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}methyl)phenol
CID 45197928
4-(5-Pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol
CID 4123570

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine)?
The IUPAC name of benzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine) (CID 139196670) is benzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine).
What is the SMILES notation for benzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine)?
The canonical SMILES for benzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine) is Oc1ccc(O)cc1.c1cc(-c2cncnc2)ccn1.c1cc(-c2cncnc2)ccn1.
What is the InChIKey of benzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine)?
The InChIKey is UMQUUNYMIBKBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N3.C6H6O2/c2*1-3-10-4-2-8(1)9-5-11-7-12-6-9;7-5-1-2-6(8)4-3-5/h2*1-7H;1-4,7-8H.
What are the key properties of benzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine)?
benzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine) has a molecular weight of 424.46 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine) is sourced from PubChem (CID 139196670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).