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

C13H14Cl2N4O2 — CID 66424788

IUPAC5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1ccc(Cl)c(Cn2cc(Cl)c(=O)[nH]c2=O)n1
InChIInChI=1S/C13H14Cl2N4O2/c1-2-5-16-11-4-3-8(14)10(17-11)7-19-6-9(15)12(20)18-13(19)21/h3-4,6H,2,5,7H2,1H3,(H,16,17)(H,18,20,21)
InChIKeyWSTGFBYRJNJZGU-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.11
Rot. Bonds5

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

5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione (PubChem CID 66424788) has the molecular formula C13H14Cl2N4O2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione
PubChem CID66424788
Molecular FormulaC13H14Cl2N4O2
Molecular Weight329.19 g/mol
Exact Mass328.05
IUPAC Name5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1ccc(Cl)c(Cn2cc(Cl)c(=O)[nH]c2=O)n1
InChIInChI=1S/C13H14Cl2N4O2/c1-2-5-16-11-4-3-8(14)10(17-11)7-19-6-9(15)12(20)18-13(19)21/h3-4,6H,2,5,7H2,1H3,(H,16,17)(H,18,20,21)
InChIKeyWSTGFBYRJNJZGU-UHFFFAOYSA-N
XLogP2.11
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione (CID 66424788) is 5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione is CCCNc1ccc(Cl)c(Cn2cc(Cl)c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione?
The InChIKey is WSTGFBYRJNJZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O2/c1-2-5-16-11-4-3-8(14)10(17-11)7-19-6-9(15)12(20)18-13(19)21/h3-4,6H,2,5,7H2,1H3,(H,16,17)(H,18,20,21).
What are the key properties of 5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione?
5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione has a molecular weight of 329.19 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66424788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).