3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione

C12H21N3O2 — CID 3025414

IUPAC3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione
SMILESCCCCn1c(=O)c(N(C)C)c(C)n(C)c1=O
InChIInChI=1S/C12H21N3O2/c1-6-7-8-15-11(16)10(13(3)4)9(2)14(5)12(15)17/h6-8H2,1-5H3
InChIKeyMOSBBDDOEFPVLI-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.72
Rot. Bonds4

About 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione

3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione (PubChem CID 3025414) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione
PubChem CID3025414
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione
SMILESCCCCn1c(=O)c(N(C)C)c(C)n(C)c1=O
InChIInChI=1S/C12H21N3O2/c1-6-7-8-15-11(16)10(13(3)4)9(2)14(5)12(15)17/h6-8H2,1-5H3
InChIKeyMOSBBDDOEFPVLI-UHFFFAOYSA-N
XLogP0.72
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
Uracil, 5-(dimethylamino)-1,3,6-trimethyl-
CID 217287
6-Amino-1-butyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363721
6-Amino-1-butyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504
Uracil, 3-cyclohexyl-1,6-dimethyl-5-dimethylamino-
CID 116088
Uracil, 3-cyclopentyl-1,6-dimethyl-5-dimethylamino-
CID 208420
Uracil, 1-cyclohexyl-5-(dimethylamino)-6-methyl-
CID 208421
Uracil, 1-cyclohexyl-3,6-dimethyl-5-dimethylamino-
CID 208422
5,6-Diamino-1,3-dipropyl-2,4(1H,3H)-pyrimidinedione
CID 5098605
6-Amino-1-butyl-5-butylamino-1H-pyrimidine-2,4-dione
CID 2341171
Acetamide, 2-(dimethylamino)-N-(2,4-dioxo-1,3,6-trimethyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-
CID 57296
Butyramide, 2-(dimethylamino)-N-(2,4-dioxo-1,3,6-trimethyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-
CID 57938

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione (CID 3025414) is 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione is CCCCn1c(=O)c(N(C)C)c(C)n(C)c1=O.
What is the InChIKey of 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione?
The InChIKey is MOSBBDDOEFPVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-6-7-8-15-11(16)10(13(3)4)9(2)14(5)12(15)17/h6-8H2,1-5H3.
What are the key properties of 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione?
3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 3025414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).