[4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene

C14H9ClN6 — CID 141068619

IUPAC[4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene
SMILESClc1ccc(-c2ccnc(N=Nc3ncccn3)n2)cc1
InChIInChI=1S/C14H9ClN6/c15-11-4-2-10(3-5-11)12-6-9-18-14(19-12)21-20-13-16-7-1-8-17-13/h1-9H
InChIKeyKCUUQDZABBDTKK-UHFFFAOYSA-N
MW296.72 g/mol
LogP4.00
Rot. Bonds3

About [4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene

[4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene (PubChem CID 141068619) has the molecular formula C14H9ClN6 and a molecular weight of 296.72 g/mol. Its IUPAC name is [4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene.

Molecular Properties

Compound Name[4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene
PubChem CID141068619
Molecular FormulaC14H9ClN6
Molecular Weight296.72 g/mol
Exact Mass296.06
IUPAC Name[4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene
SMILESClc1ccc(-c2ccnc(N=Nc3ncccn3)n2)cc1
InChIInChI=1S/C14H9ClN6/c15-11-4-2-10(3-5-11)12-6-9-18-14(19-12)21-20-13-16-7-1-8-17-13/h1-9H
InChIKeyKCUUQDZABBDTKK-UHFFFAOYSA-N
XLogP4.00
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene
CID 86591912
4-(4-chlorophenyl)-2-propan-2-ylpyrimidine
CID 67473578
1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine
CID 82666280
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
CID 10871645
1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278648
2-[4-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethanethiol
CID 116900458
1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine
CID 139953901
3,6-bis(4-chlorophenyl)pyridazine
CID 11197367
N-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine
CID 142915694
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 54584009
CID 118468758
CID 118468758

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene?
The IUPAC name of [4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene (CID 141068619) is [4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene.
What is the SMILES notation for [4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene?
The canonical SMILES for [4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene is Clc1ccc(-c2ccnc(N=Nc3ncccn3)n2)cc1.
What is the InChIKey of [4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene?
The InChIKey is KCUUQDZABBDTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN6/c15-11-4-2-10(3-5-11)12-6-9-18-14(19-12)21-20-13-16-7-1-8-17-13/h1-9H.
What are the key properties of [4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene?
[4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene has a molecular weight of 296.72 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene is sourced from PubChem (CID 141068619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).