1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea

C15H19N5O — CID 75456076

IUPAC1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NCc2ccnc(N(C)C)c2)n1
InChIInChI=1S/C15H19N5O/c1-11-5-4-6-13(18-11)19-15(21)17-10-12-7-8-16-14(9-12)20(2)3/h4-9H,10H2,1-3H3,(H2,17,18,19,21)
InChIKeyGQELJYGLYOBLKZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.17
Rot. Bonds4

About 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea

1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea (PubChem CID 75456076) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea
PubChem CID75456076
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NCc2ccnc(N(C)C)c2)n1
InChIInChI=1S/C15H19N5O/c1-11-5-4-6-13(18-11)19-15(21)17-10-12-7-8-16-14(9-12)20(2)3/h4-9H,10H2,1-3H3,(H2,17,18,19,21)
InChIKeyGQELJYGLYOBLKZ-UHFFFAOYSA-N
XLogP2.17
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea (CID 75456076) is 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)NCc2ccnc(N(C)C)c2)n1.
What is the InChIKey of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is GQELJYGLYOBLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-5-4-6-13(18-11)19-15(21)17-10-12-7-8-16-14(9-12)20(2)3/h4-9H,10H2,1-3H3,(H2,17,18,19,21).
What are the key properties of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea?
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 285.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 75456076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).