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

C12H17N3O2 — CID 47237171

IUPAC1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea
SMILESCc1cccnc1NC(=O)NCC1CCCO1
InChIInChI=1S/C12H17N3O2/c1-9-4-2-6-13-11(9)15-12(16)14-8-10-5-3-7-17-10/h2,4,6,10H,3,5,7-8H2,1H3,(H2,13,14,15,16)
InChIKeyLXMBUTUZGLHDHK-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.69
Rot. Bonds3

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

1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 47237171) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea
PubChem CID47237171
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea
SMILESCc1cccnc1NC(=O)NCC1CCCO1
InChIInChI=1S/C12H17N3O2/c1-9-4-2-6-13-11(9)15-12(16)14-8-10-5-3-7-17-10/h2,4,6,10H,3,5,7-8H2,1H3,(H2,13,14,15,16)
InChIKeyLXMBUTUZGLHDHK-UHFFFAOYSA-N
XLogP1.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47042572
1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 125160293
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea
CID 97073055
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
1-(3-chloro-2-pyridinyl)-3-(oxolan-2-ylmethyl)thiourea
CID 3627232
1-(3-methoxy-2-pyridinyl)-3-(oxolan-2-ylmethyl)thiourea
CID 133172406
1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 124853722
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47193009

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea (CID 47237171) is 1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea is Cc1cccnc1NC(=O)NCC1CCCO1.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is LXMBUTUZGLHDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-4-2-6-13-11(9)15-12(16)14-8-10-5-3-7-17-10/h2,4,6,10H,3,5,7-8H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea?
1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 235.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 47237171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).