1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C13H18ClN3O2 — CID 111618253

IUPAC1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCc1cc(C)c(NC(=O)NCC2(CO)CC2)c(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-8-5-9(2)16-11(14)10(8)17-12(19)15-6-13(7-18)3-4-13/h5,18H,3-4,6-7H2,1-2H3,(H2,15,17,19)
InChIKeyIBUIGXBSRVDNOM-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.25
Rot. Bonds4

About 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 111618253) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID111618253
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCc1cc(C)c(NC(=O)NCC2(CO)CC2)c(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-8-5-9(2)16-11(14)10(8)17-12(19)15-6-13(7-18)3-4-13/h5,18H,3-4,6-7H2,1-2H3,(H2,15,17,19)
InChIKeyIBUIGXBSRVDNOM-UHFFFAOYSA-N
XLogP2.25
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-3-(2-chloro-4,6-dimethylpyridin-3-yl)urea
CID 593495
3-(2-Chloro-4,6-dimethyl-3-pyridinyl)-1-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 109969947
1-(2-Chloro-3-pyridinyl)-3-(1-cyclopropyl-3-hydroxypropyl)urea
CID 60341103
N-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
CID 71862644
1-(2-Chloro-4,6-dimethyl-3-pyridinyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71864885
N-tert-butyl-2-[(2-chloro-4,6-dimethyl-3-pyridinyl)carbamoylamino]acetamide
CID 71864888
3-(2-Chloro-4,6-dimethyl-3-pyridinyl)-1,1-dimethylurea
CID 71865541
1-(2-Chloro-4,6-dimethyl-3-pyridinyl)-3-(1-methoxybutan-2-yl)urea
CID 71981494
1-(2-Chloro-3-pyridinyl)-3-(2,2-diethyl-4-hydroxybutyl)urea
CID 71986294
1-Benzyl-3-(4-chloro-2,6-dimethyl-3-pyridinyl)urea
CID 85556075
1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 96524435
1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 96524437

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 111618253) is 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is Cc1cc(C)c(NC(=O)NCC2(CO)CC2)c(Cl)n1.
What is the InChIKey of 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is IBUIGXBSRVDNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8-5-9(2)16-11(14)10(8)17-12(19)15-6-13(7-18)3-4-13/h5,18H,3-4,6-7H2,1-2H3,(H2,15,17,19).
What are the key properties of 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 283.76 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 111618253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).