1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea

C12H17N3O3 — CID 127265841

IUPAC1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NCC2OCCCO2)n1
InChIInChI=1S/C12H17N3O3/c1-9-4-2-5-10(14-9)15-12(16)13-8-11-17-6-3-7-18-11/h2,4-5,11H,3,6-8H2,1H3,(H2,13,14,15,16)
InChIKeyGFPDXPODHMTIOX-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.27
Rot. Bonds3

About 1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea

1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea (PubChem CID 127265841) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea
PubChem CID127265841
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NCC2OCCCO2)n1
InChIInChI=1S/C12H17N3O3/c1-9-4-2-5-10(14-9)15-12(16)13-8-11-17-6-3-7-18-11/h2,4-5,11H,3,6-8H2,1H3,(H2,13,14,15,16)
InChIKeyGFPDXPODHMTIOX-UHFFFAOYSA-N
XLogP1.27
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(6-methyl-2-pyridinyl)oxolane-2-carboxamide
CID 40572544
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide
CID 167876369
1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea
CID 108894432
1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)urea
CID 108888073
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75507942
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
1-(6-methyl-2-pyridinyl)-3-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]urea
CID 124740660
methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate
CID 126839933
1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887059
1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108900770

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea (CID 127265841) is 1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)NCC2OCCCO2)n1.
What is the InChIKey of 1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is GFPDXPODHMTIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-4-2-5-10(14-9)15-12(16)13-8-11-17-6-3-7-18-11/h2,4-5,11H,3,6-8H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea?
1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 251.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 127265841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).