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

C12H13ClN4O2 — CID 66328744

IUPAC1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2nc(N)ccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C12H13ClN4O2/c1-2-7-5-17(12(19)16-11(7)18)6-9-8(13)3-4-10(14)15-9/h3-5H,2,6H2,1H3,(H2,14,15)(H,16,18,19)
InChIKeyMVVYUTAOSJOZML-UHFFFAOYSA-N
MW280.72 g/mol
LogP0.78
Rot. Bonds3

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

1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione (PubChem CID 66328744) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione
PubChem CID66328744
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2nc(N)ccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C12H13ClN4O2/c1-2-7-5-17(12(19)16-11(7)18)6-9-8(13)3-4-10(14)15-9/h3-5H,2,6H2,1H3,(H2,14,15)(H,16,18,19)
InChIKeyMVVYUTAOSJOZML-UHFFFAOYSA-N
XLogP0.78
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 50.78
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]-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione (CID 66328744) is 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione is CCc1cn(Cc2nc(N)ccc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione?
The InChIKey is MVVYUTAOSJOZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-2-7-5-17(12(19)16-11(7)18)6-9-8(13)3-4-10(14)15-9/h3-5H,2,6H2,1H3,(H2,14,15)(H,16,18,19).
What are the key properties of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione?
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 280.72 g/mol, XLogP of 0.78, 3 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]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 66328744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).