1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea

C15H24N4O2 — CID 119045789

IUPAC1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCc1ccc(CN(C)C(=O)NCCN2CCOCC2)nc1
InChIInChI=1S/C15H24N4O2/c1-13-3-4-14(17-11-13)12-18(2)15(20)16-5-6-19-7-9-21-10-8-19/h3-4,11H,5-10,12H2,1-2H3,(H,16,20)
InChIKeyRAKCLFSODQYJEJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.86
Rot. Bonds5

About 1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea

1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 119045789) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID119045789
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCc1ccc(CN(C)C(=O)NCCN2CCOCC2)nc1
InChIInChI=1S/C15H24N4O2/c1-13-3-4-14(17-11-13)12-18(2)15(20)16-5-6-19-7-9-21-10-8-19/h3-4,11H,5-10,12H2,1-2H3,(H,16,20)
InChIKeyRAKCLFSODQYJEJ-UHFFFAOYSA-N
XLogP0.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea (CID 119045789) is 1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea is Cc1ccc(CN(C)C(=O)NCCN2CCOCC2)nc1.
What is the InChIKey of 1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is RAKCLFSODQYJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-13-3-4-14(17-11-13)12-18(2)15(20)16-5-6-19-7-9-21-10-8-19/h3-4,11H,5-10,12H2,1-2H3,(H,16,20).
What are the key properties of 1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea?
1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 292.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 119045789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).