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

C13H15ClN4O2 — CID 63810238

IUPAC3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2nc(N)ccc2Cl)c1=O
InChIInChI=1S/C13H15ClN4O2/c1-2-6-17-7-5-12(19)18(13(17)20)8-10-9(14)3-4-11(15)16-10/h3-5,7H,2,6,8H2,1H3,(H2,15,16)
InChIKeyTWBHCIALJQDLNL-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.10
Rot. Bonds4

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

3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 63810238) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
PubChem CID63810238
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2nc(N)ccc2Cl)c1=O
InChIInChI=1S/C13H15ClN4O2/c1-2-6-17-7-5-12(19)18(13(17)20)8-10-9(14)3-4-11(15)16-10/h3-5,7H,2,6,8H2,1H3,(H2,15,16)
InChIKeyTWBHCIALJQDLNL-UHFFFAOYSA-N
XLogP1.10
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione (CID 63810238) is 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2nc(N)ccc2Cl)c1=O.
What is the InChIKey of 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is TWBHCIALJQDLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-2-6-17-7-5-12(19)18(13(17)20)8-10-9(14)3-4-11(15)16-10/h3-5,7H,2,6,8H2,1H3,(H2,15,16).
What are the key properties of 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione?
3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 294.74 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63810238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).