1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione

C10H9ClN4O2 — CID 55127737

IUPAC1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione
SMILESNc1ccc(Cl)c(Cn2ccc(=O)[nH]c2=O)n1
InChIInChI=1S/C10H9ClN4O2/c11-6-1-2-8(12)13-7(6)5-15-4-3-9(16)14-10(15)17/h1-4H,5H2,(H2,12,13)(H,14,16,17)
InChIKeyVZLMZYIQMCIJJQ-UHFFFAOYSA-N
MW252.66 g/mol
LogP0.22
Rot. Bonds2

About 1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione

1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione (PubChem CID 55127737) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione
PubChem CID55127737
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione
SMILESNc1ccc(Cl)c(Cn2ccc(=O)[nH]c2=O)n1
InChIInChI=1S/C10H9ClN4O2/c11-6-1-2-8(12)13-7(6)5-15-4-3-9(16)14-10(15)17/h1-4H,5H2,(H2,12,13)(H,14,16,17)
InChIKeyVZLMZYIQMCIJJQ-UHFFFAOYSA-N
XLogP0.22
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione (CID 55127737) is 1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione is Nc1ccc(Cl)c(Cn2ccc(=O)[nH]c2=O)n1.
What is the InChIKey of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione?
The InChIKey is VZLMZYIQMCIJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c11-6-1-2-8(12)13-7(6)5-15-4-3-9(16)14-10(15)17/h1-4H,5H2,(H2,12,13)(H,14,16,17).
What are the key properties of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione?
1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione has a molecular weight of 252.66 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 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]pyrimidine-2,4-dione is sourced from PubChem (CID 55127737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).