6-tert-butyl-1-propylpyrimidine-2,4-dione

C11H18N2O2 — CID 121206645

IUPAC6-tert-butyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(C(C)(C)C)cc(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-5-6-13-8(11(2,3)4)7-9(14)12-10(13)15/h7H,5-6H2,1-4H3,(H,12,14,15)
InChIKeyNYXSZPYTTDFWCI-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.24
Rot. Bonds2

About 6-tert-butyl-1-propylpyrimidine-2,4-dione

6-tert-butyl-1-propylpyrimidine-2,4-dione (PubChem CID 121206645) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-tert-butyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-tert-butyl-1-propylpyrimidine-2,4-dione
PubChem CID121206645
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name6-tert-butyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(C(C)(C)C)cc(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-5-6-13-8(11(2,3)4)7-9(14)12-10(13)15/h7H,5-6H2,1-4H3,(H,12,14,15)
InChIKeyNYXSZPYTTDFWCI-UHFFFAOYSA-N
XLogP1.24
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-sec-Butyl-6-methyluracil
CID 100019
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-propylacetamide
CID 2149960
6-Tert-butylpyrimidine-2,4-diol
CID 817312
6-Cyclopropyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 22075424
N-butyl-2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetamide
CID 2149962
Uracil, 3-butyl-6-methyl-
CID 70528
Uracil, 6-methyl-4-propyl-
CID 165610
3-Isobutyl-6-methyluracil
CID 103331
1-Butyl-6-methyluracil
CID 12703038
1-Isobutyl-6-methyl-uracil
CID 13613065
6-Tert-butyl-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 121206592
6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione
CID 67562026

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-tert-butyl-1-propylpyrimidine-2,4-dione (CID 121206645) is 6-tert-butyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-tert-butyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-tert-butyl-1-propylpyrimidine-2,4-dione is CCCn1c(C(C)(C)C)cc(=O)[nH]c1=O.
What is the InChIKey of 6-tert-butyl-1-propylpyrimidine-2,4-dione?
The InChIKey is NYXSZPYTTDFWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-6-13-8(11(2,3)4)7-9(14)12-10(13)15/h7H,5-6H2,1-4H3,(H,12,14,15).
What are the key properties of 6-tert-butyl-1-propylpyrimidine-2,4-dione?
6-tert-butyl-1-propylpyrimidine-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 121206645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).