1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea

C13H20N4O2 — CID 47375907

IUPAC1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccnc1N1CCOCC1
InChIInChI=1S/C13H20N4O2/c1-10(2)15-13(18)16-11-4-3-5-14-12(11)17-6-8-19-9-7-17/h3-5,10H,6-9H2,1-2H3,(H2,15,16,18)
InChIKeyAOKBCLWRSCAQHS-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.45
Rot. Bonds3

About 1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea

1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea (PubChem CID 47375907) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea
PubChem CID47375907
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccnc1N1CCOCC1
InChIInChI=1S/C13H20N4O2/c1-10(2)15-13(18)16-11-4-3-5-14-12(11)17-6-8-19-9-7-17/h3-5,10H,6-9H2,1-2H3,(H2,15,16,18)
InChIKeyAOKBCLWRSCAQHS-UHFFFAOYSA-N
XLogP1.45
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea (CID 47375907) is 1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1cccnc1N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea?
The InChIKey is AOKBCLWRSCAQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(2)15-13(18)16-11-4-3-5-14-12(11)17-6-8-19-9-7-17/h3-5,10H,6-9H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea?
1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea has a molecular weight of 264.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylurea is sourced from PubChem (CID 47375907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).