1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea

C13H20N4O2 — CID 47221444

IUPAC1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea
SMILESCN(C)c1ccc(NC(=O)NCC2CCOC2)cn1
InChIInChI=1S/C13H20N4O2/c1-17(2)12-4-3-11(8-14-12)16-13(18)15-7-10-5-6-19-9-10/h3-4,8,10H,5-7,9H2,1-2H3,(H2,15,16,18)
InChIKeyJDNNPZCVROCCMT-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.31
Rot. Bonds4

About 1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea

1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea (PubChem CID 47221444) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea
PubChem CID47221444
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea
SMILESCN(C)c1ccc(NC(=O)NCC2CCOC2)cn1
InChIInChI=1S/C13H20N4O2/c1-17(2)12-4-3-11(8-14-12)16-13(18)15-7-10-5-6-19-9-10/h3-4,8,10H,5-7,9H2,1-2H3,(H2,15,16,18)
InChIKeyJDNNPZCVROCCMT-UHFFFAOYSA-N
XLogP1.31
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea (CID 47221444) is 1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea is CN(C)c1ccc(NC(=O)NCC2CCOC2)cn1.
What is the InChIKey of 1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea?
The InChIKey is JDNNPZCVROCCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-17(2)12-4-3-11(8-14-12)16-13(18)15-7-10-5-6-19-9-10/h3-4,8,10H,5-7,9H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea?
1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea has a molecular weight of 264.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 47221444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).