6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione

C19H21N3O3 — CID 176902830

IUPAC6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione
SMILESCC(C)(C)c1ccccc1-n1c(N)cc(=O)n(Cc2ccco2)c1=O
InChIInChI=1S/C19H21N3O3/c1-19(2,3)14-8-4-5-9-15(14)22-16(20)11-17(23)21(18(22)24)12-13-7-6-10-25-13/h4-11H,12,20H2,1-3H3
InChIKeyRVNGHJCTDLKRRZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.52
Rot. Bonds3

About 6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione

6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 176902830) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID176902830
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione
SMILESCC(C)(C)c1ccccc1-n1c(N)cc(=O)n(Cc2ccco2)c1=O
InChIInChI=1S/C19H21N3O3/c1-19(2,3)14-8-4-5-9-15(14)22-16(20)11-17(23)21(18(22)24)12-13-7-6-10-25-13/h4-11H,12,20H2,1-3H3
InChIKeyRVNGHJCTDLKRRZ-UHFFFAOYSA-N
XLogP2.52
TPSA83.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione
CID 121010834
4-amino-5-(2-tert-butylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326916
6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione
CID 121220119
2-tert-butylaniline
CID 159041627
4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046595
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline
CID 19626878
6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione
CID 121012222
6-amino-3-benzyl-1-(3-fluorophenyl)pyrimidine-2,4-dione
CID 2822873
6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
CID 39101032
6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one
CID 84610246
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione (CID 176902830) is 6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione is CC(C)(C)c1ccccc1-n1c(N)cc(=O)n(Cc2ccco2)c1=O.
What is the InChIKey of 6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is RVNGHJCTDLKRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-19(2,3)14-8-4-5-9-15(14)22-16(20)11-17(23)21(18(22)24)12-13-7-6-10-25-13/h4-11H,12,20H2,1-3H3.
What are the key properties of 6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione?
6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 339.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 176902830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).