6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione

C18H16N4O3S — CID 9360293

IUPAC6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESNc1c(C(=O)CSc2ccc3ccccc3n2)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C18H16N4O3S/c19-16-15(17(24)21-18(25)22(16)11-6-7-11)13(23)9-26-14-8-5-10-3-1-2-4-12(10)20-14/h1-5,8,11H,6-7,9,19H2,(H,21,24,25)
InChIKeyQQNNMHJWEMPYNQ-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.98
Rot. Bonds5

About 6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione

6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione (PubChem CID 9360293) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
PubChem CID9360293
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESNc1c(C(=O)CSc2ccc3ccccc3n2)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C18H16N4O3S/c19-16-15(17(24)21-18(25)22(16)11-6-7-11)13(23)9-26-14-8-5-10-3-1-2-4-12(10)20-14/h1-5,8,11H,6-7,9,19H2,(H,21,24,25)
InChIKeyQQNNMHJWEMPYNQ-UHFFFAOYSA-N
XLogP1.98
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione (CID 9360293) is 6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione is Nc1c(C(=O)CSc2ccc3ccccc3n2)c(=O)[nH]c(=O)n1C1CC1.
What is the InChIKey of 6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The InChIKey is QQNNMHJWEMPYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c19-16-15(17(24)21-18(25)22(16)11-6-7-11)13(23)9-26-14-8-5-10-3-1-2-4-12(10)20-14/h1-5,8,11H,6-7,9,19H2,(H,21,24,25).
What are the key properties of 6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione has a molecular weight of 368.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 9360293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).