1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea

C11H15Cl2N3O — CID 3334916

IUPAC1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea
SMILESCC(C)(C)CNC(=O)Nc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H15Cl2N3O/c1-11(2,3)6-14-10(17)15-7-4-8(12)16-9(13)5-7/h4-5H,6H2,1-3H3,(H2,14,15,16,17)
InChIKeyKBUZRYGRCNRDBX-UHFFFAOYSA-N
MW276.17 g/mol
LogP3.56
Rot. Bonds2

About 1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea

1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea (PubChem CID 3334916) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea.

Molecular Properties

Compound Name1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea
PubChem CID3334916
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea
SMILESCC(C)(C)CNC(=O)Nc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H15Cl2N3O/c1-11(2,3)6-14-10(17)15-7-4-8(12)16-9(13)5-7/h4-5H,6H2,1-3H3,(H2,14,15,16,17)
InChIKeyKBUZRYGRCNRDBX-UHFFFAOYSA-N
XLogP3.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea
CID 3866775
1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea
CID 61167083
3,5-dichloro-4-(2,2-dimethylpropylcarbamoylamino)benzoic acid
CID 82832906
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
1-[(6-bromocyclohexa-2,4-dien-1-yl)methyl]-3-(2,6-dichloro-4-pyridinyl)urea
CID 143498251
1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea
CID 2781839
1-(2,2-dimethylpropyl)-3-(4-methylsulfonylphenyl)urea
CID 110774671
1-(2,6-dichloro-4-pyridinyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3692964
1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea
CID 110748284
1-(2,6-dichloro-4-pyridinyl)-3-(2-thiophen-2-ylethyl)urea
CID 3286045
1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea
CID 110774460
3-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 107576403

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea?
The IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea (CID 3334916) is 1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea.
What is the SMILES notation for 1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea?
The canonical SMILES for 1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea is CC(C)(C)CNC(=O)Nc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea?
The InChIKey is KBUZRYGRCNRDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-11(2,3)6-14-10(17)15-7-4-8(12)16-9(13)5-7/h4-5H,6H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea?
1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea has a molecular weight of 276.17 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea is sourced from PubChem (CID 3334916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).