1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione

C10H9ClN4O3 — CID 55127690

IUPAC1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(Cc2nc(N)ccc2Cl)C1=O
InChIInChI=1S/C10H9ClN4O3/c1-14-8(16)9(17)15(10(14)18)4-6-5(11)2-3-7(12)13-6/h2-3H,4H2,1H3,(H2,12,13)
InChIKeyUDADLPWESBSNNO-UHFFFAOYSA-N
MW268.66 g/mol
LogP0.24
Rot. Bonds2

About 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione

1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 55127690) has the molecular formula C10H9ClN4O3 and a molecular weight of 268.66 g/mol. Its IUPAC name is 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID55127690
Molecular FormulaC10H9ClN4O3
Molecular Weight268.66 g/mol
Exact Mass268.04
IUPAC Name1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(Cc2nc(N)ccc2Cl)C1=O
InChIInChI=1S/C10H9ClN4O3/c1-14-8(16)9(17)15(10(14)18)4-6-5(11)2-3-7(12)13-6/h2-3H,4H2,1H3,(H2,12,13)
InChIKeyUDADLPWESBSNNO-UHFFFAOYSA-N
XLogP0.24
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79181278
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one
CID 62885269
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 62892418
3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66342907
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 63172351
5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62892346
3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63810238
1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 55127737
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66328744
5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine
CID 62887555
5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
CID 114087556
1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 64768035

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione (CID 55127690) is 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(Cc2nc(N)ccc2Cl)C1=O.
What is the InChIKey of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is UDADLPWESBSNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O3/c1-14-8(16)9(17)15(10(14)18)4-6-5(11)2-3-7(12)13-6/h2-3H,4H2,1H3,(H2,12,13).
What are the key properties of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione?
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 268.66 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 55127690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).