1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one

C10H13ClN4O — CID 62885269

IUPAC1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2nc(N)ccc2Cl)C1=O
InChIInChI=1S/C10H13ClN4O/c1-14-4-5-15(10(14)16)6-8-7(11)2-3-9(12)13-8/h2-3H,4-6H2,1H3,(H2,12,13)
InChIKeyFQLDMCRHQQRSGN-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.18
Rot. Bonds2

About 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one

1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one (PubChem CID 62885269) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one
PubChem CID62885269
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2nc(N)ccc2Cl)C1=O
InChIInChI=1S/C10H13ClN4O/c1-14-4-5-15(10(14)16)6-8-7(11)2-3-9(12)13-8/h2-3H,4-6H2,1H3,(H2,12,13)
InChIKeyFQLDMCRHQQRSGN-UHFFFAOYSA-N
XLogP1.18
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one (CID 62885269) is 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one is CN1CCN(Cc2nc(N)ccc2Cl)C1=O.
What is the InChIKey of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one?
The InChIKey is FQLDMCRHQQRSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-14-4-5-15(10(14)16)6-8-7(11)2-3-9(12)13-8/h2-3H,4-6H2,1H3,(H2,12,13).
What are the key properties of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one?
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one has a molecular weight of 240.69 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 62885269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).