6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione

C18H19N5O3S — CID 9324737

IUPAC6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2ncnc3ccccc23)c(=O)n(C)c1=O
InChIInChI=1S/C18H19N5O3S/c1-3-8-23-15(19)14(17(25)22(2)18(23)26)13(24)9-27-16-11-6-4-5-7-12(11)20-10-21-16/h4-7,10H,3,8-9,19H2,1-2H3
InChIKeyBNNVKUDRHDJOJW-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.46
Rot. Bonds6

About 6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione

6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione (PubChem CID 9324737) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione
PubChem CID9324737
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2ncnc3ccccc23)c(=O)n(C)c1=O
InChIInChI=1S/C18H19N5O3S/c1-3-8-23-15(19)14(17(25)22(2)18(23)26)13(24)9-27-16-11-6-4-5-7-12(11)20-10-21-16/h4-7,10H,3,8-9,19H2,1-2H3
InChIKeyBNNVKUDRHDJOJW-UHFFFAOYSA-N
XLogP1.46
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
CID 7145291
6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 6416531
6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16534778
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 16535636
6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 3959348
6-amino-3-methyl-5-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4304150
2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 2478100
6-amino-1-benzyl-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methylpyrimidine-2,4-dione
CID 16534766
6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16524252
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765392
6-amino-1-benzyl-3-methyl-5-[2-(4-methylquinolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 4644691
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] benzoate
CID 7868471

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione (CID 9324737) is 6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2ncnc3ccccc23)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione?
The InChIKey is BNNVKUDRHDJOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-3-8-23-15(19)14(17(25)22(2)18(23)26)13(24)9-27-16-11-6-4-5-7-12(11)20-10-21-16/h4-7,10H,3,8-9,19H2,1-2H3.
What are the key properties of 6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione?
6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione has a molecular weight of 385.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 9324737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).