[5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea

C12H17N3O2 — CID 146243326

IUPAC[5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea
SMILESCc1cnc(C2CCOCC2)c(NC(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-8-6-10(15-12(13)16)11(14-7-8)9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H3,13,15,16)
InChIKeyDLQSBBGJLUWIFO-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.77
Rot. Bonds2

About [5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea

[5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea (PubChem CID 146243326) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name[5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea
PubChem CID146243326
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea
SMILESCc1cnc(C2CCOCC2)c(NC(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-8-6-10(15-12(13)16)11(14-7-8)9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H3,13,15,16)
InChIKeyDLQSBBGJLUWIFO-UHFFFAOYSA-N
XLogP1.77
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea?
The IUPAC name of [5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea (CID 146243326) is [5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea.
What is the SMILES notation for [5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea?
The canonical SMILES for [5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea is Cc1cnc(C2CCOCC2)c(NC(N)=O)c1.
What is the InChIKey of [5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea?
The InChIKey is DLQSBBGJLUWIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-6-10(15-12(13)16)11(14-7-8)9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H3,13,15,16).
What are the key properties of [5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea?
[5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea has a molecular weight of 235.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(oxan-4-yl)-3-pyridinyl]urea is sourced from PubChem (CID 146243326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).