1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea

C12H17N3O3 — CID 47042572

IUPAC1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
SMILESCOc1ncccc1NC(=O)NCC1CCCO1
InChIInChI=1S/C12H17N3O3/c1-17-11-10(5-2-6-13-11)15-12(16)14-8-9-4-3-7-18-9/h2,5-6,9H,3-4,7-8H2,1H3,(H2,14,15,16)
InChIKeyZJUILYAODUVWLP-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.39
Rot. Bonds4

About 1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea

1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 47042572) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
PubChem CID47042572
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
SMILESCOc1ncccc1NC(=O)NCC1CCCO1
InChIInChI=1S/C12H17N3O3/c1-17-11-10(5-2-6-13-11)15-12(16)14-8-9-4-3-7-18-9/h2,5-6,9H,3-4,7-8H2,1H3,(H2,14,15,16)
InChIKeyZJUILYAODUVWLP-UHFFFAOYSA-N
XLogP1.39
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47237171
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 51116674
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
3-(2-methoxy-3-pyridinyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)urea
CID 47849575
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47193009
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95177667
1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194992
3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 94077984
1-(3-methoxy-2-pyridinyl)-3-(oxolan-2-ylmethyl)thiourea
CID 133172406

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea (CID 47042572) is 1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea is COc1ncccc1NC(=O)NCC1CCCO1.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is ZJUILYAODUVWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-11-10(5-2-6-13-11)15-12(16)14-8-9-4-3-7-18-9/h2,5-6,9H,3-4,7-8H2,1H3,(H2,14,15,16).
What are the key properties of 1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea?
1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 251.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 47042572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).