1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea

C15H12ClN7O — CID 88993278

IUPAC1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea
SMILESCc1nc(NC(=O)Nc2ccc(Cl)nc2)nc(-c2ccccn2)n1
InChIInChI=1S/C15H12ClN7O/c1-9-19-13(11-4-2-3-7-17-11)22-14(20-9)23-15(24)21-10-5-6-12(16)18-8-10/h2-8H,1H3,(H2,19,20,21,22,23,24)
InChIKeySVNVONNWQLNYSO-UHFFFAOYSA-N
MW341.76 g/mol
LogP2.93
Rot. Bonds3

About 1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea

1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea (PubChem CID 88993278) has the molecular formula C15H12ClN7O and a molecular weight of 341.76 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea
PubChem CID88993278
Molecular FormulaC15H12ClN7O
Molecular Weight341.76 g/mol
Exact Mass341.08
IUPAC Name1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea
SMILESCc1nc(NC(=O)Nc2ccc(Cl)nc2)nc(-c2ccccn2)n1
InChIInChI=1S/C15H12ClN7O/c1-9-19-13(11-4-2-3-7-17-11)22-14(20-9)23-15(24)21-10-5-6-12(16)18-8-10/h2-8H,1H3,(H2,19,20,21,22,23,24)
InChIKeySVNVONNWQLNYSO-UHFFFAOYSA-N
XLogP2.93
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
CID 70814351
1-(6-chloro-3-pyridinyl)-3-(4-methylphenyl)urea
CID 47433187
1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide
CID 70814491
2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide
CID 70814564
2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 88993281
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-sulfamoylbenzamide
CID 70814294
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 70814424
1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide
CID 70814551
5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide
CID 70814585
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 70814538
4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 70814440
4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
CID 163542852

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea (CID 88993278) is 1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea is Cc1nc(NC(=O)Nc2ccc(Cl)nc2)nc(-c2ccccn2)n1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea?
The InChIKey is SVNVONNWQLNYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN7O/c1-9-19-13(11-4-2-3-7-17-11)22-14(20-9)23-15(24)21-10-5-6-12(16)18-8-10/h2-8H,1H3,(H2,19,20,21,22,23,24).
What are the key properties of 1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea?
1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea has a molecular weight of 341.76 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 88993278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).