1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one

C14H20N4O — CID 103182917

IUPAC1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2ncc(C)c(N)c2C)c1=O
InChIInChI=1S/C14H20N4O/c1-4-5-17-6-7-18(14(17)19)9-12-11(3)13(15)10(2)8-16-12/h6-8H,4-5,9H2,1-3H3,(H2,15,16)
InChIKeyWLLVXFDPXMREDL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.70
Rot. Bonds4

About 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one

1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one (PubChem CID 103182917) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one
PubChem CID103182917
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2ncc(C)c(N)c2C)c1=O
InChIInChI=1S/C14H20N4O/c1-4-5-17-6-7-18(14(17)19)9-12-11(3)13(15)10(2)8-16-12/h6-8H,4-5,9H2,1-3H3,(H2,15,16)
InChIKeyWLLVXFDPXMREDL-UHFFFAOYSA-N
XLogP1.70
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one (CID 103182917) is 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2ncc(C)c(N)c2C)c1=O.
What is the InChIKey of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one?
The InChIKey is WLLVXFDPXMREDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-5-17-6-7-18(14(17)19)9-12-11(3)13(15)10(2)8-16-12/h6-8H,4-5,9H2,1-3H3,(H2,15,16).
What are the key properties of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one?
1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 103182917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).