1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione

C13H23N3O2 — CID 23326872

IUPAC1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione
SMILESCCCCn1c(NCC)cc(=O)n(C(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-5-7-8-15-11(14-6-2)9-12(17)16(10(3)4)13(15)18/h9-10,14H,5-8H2,1-4H3
InChIKeyOTYIHGFRQXJNGW-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.82
Rot. Bonds6

About 1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione

1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione (PubChem CID 23326872) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione
PubChem CID23326872
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione
SMILESCCCCn1c(NCC)cc(=O)n(C(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-5-7-8-15-11(14-6-2)9-12(17)16(10(3)4)13(15)18/h9-10,14H,5-8H2,1-4H3
InChIKeyOTYIHGFRQXJNGW-UHFFFAOYSA-N
XLogP1.82
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-1,3-dipropyluracil
CID 855055
6-Hexylamino-1H-pyrimidine-2,4-dione
CID 44349321
3-sec-Butyl-6-methyluracil
CID 100019
6-Amino-1-propyluracil
CID 104562
6-Amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 853899
6-(heptylamino)-1H-pyrimidine-2,4-dione
CID 146025740
6-Cyclohexylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione
CID 777234
6-Pentylamino-1H-pyrimidine-2,4-dione
CID 309900
6-Propylamino-1,3-dimethyluracil
CID 2262138
Stk249703
CID 4637181
N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 10198639
N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654967

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione (CID 23326872) is 1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione is CCCCn1c(NCC)cc(=O)n(C(C)C)c1=O.
What is the InChIKey of 1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is OTYIHGFRQXJNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-7-8-15-11(14-6-2)9-12(17)16(10(3)4)13(15)18/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione?
1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 253.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 23326872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).