5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione

C15H27N3O2 — CID 63800991

IUPAC5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione
SMILESCCCCC(CC)Cn1c(=O)c(N)cn(CCC)c1=O
InChIInChI=1S/C15H27N3O2/c1-4-7-8-12(6-3)10-18-14(19)13(16)11-17(9-5-2)15(18)20/h11-12H,4-10,16H2,1-3H3
InChIKeyBHVMACBHRCLMHF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.22
Rot. Bonds8

About 5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione

5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione (PubChem CID 63800991) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione
PubChem CID63800991
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione
SMILESCCCCC(CC)Cn1c(=O)c(N)cn(CCC)c1=O
InChIInChI=1S/C15H27N3O2/c1-4-7-8-12(6-3)10-18-14(19)13(16)11-17(9-5-2)15(18)20/h11-12H,4-10,16H2,1-3H3
InChIKeyBHVMACBHRCLMHF-UHFFFAOYSA-N
XLogP2.22
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione (CID 63800991) is 5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione is CCCCC(CC)Cn1c(=O)c(N)cn(CCC)c1=O.
What is the InChIKey of 5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is BHVMACBHRCLMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-7-8-12(6-3)10-18-14(19)13(16)11-17(9-5-2)15(18)20/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione?
5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 281.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63800991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).