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

C12H12ClFN4O2 — CID 63558194

IUPAC1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESCCNc1ccc(Cl)c(Cn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C12H12ClFN4O2/c1-2-15-10-4-3-7(13)9(16-10)6-18-5-8(14)11(19)17-12(18)20/h3-5H,2,6H2,1H3,(H,15,16)(H,17,19,20)
InChIKeyNOXFKYDYYARHHD-UHFFFAOYSA-N
MW298.71 g/mol
LogP1.20
Rot. Bonds4

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

1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 63558194) has the molecular formula C12H12ClFN4O2 and a molecular weight of 298.71 g/mol. Its IUPAC name is 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID63558194
Molecular FormulaC12H12ClFN4O2
Molecular Weight298.71 g/mol
Exact Mass298.06
IUPAC Name1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESCCNc1ccc(Cl)c(Cn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C12H12ClFN4O2/c1-2-15-10-4-3-7(13)9(16-10)6-18-5-8(14)11(19)17-12(18)20/h3-5H,2,6H2,1H3,(H,15,16)(H,17,19,20)
InChIKeyNOXFKYDYYARHHD-UHFFFAOYSA-N
XLogP1.20
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione (CID 63558194) is 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione is CCNc1ccc(Cl)c(Cn2cc(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is NOXFKYDYYARHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O2/c1-2-15-10-4-3-7(13)9(16-10)6-18-5-8(14)11(19)17-12(18)20/h3-5H,2,6H2,1H3,(H,15,16)(H,17,19,20).
What are the key properties of 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione?
1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 298.71 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 63558194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).