6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione

C17H23N3O2S — CID 2366352

IUPAC6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(Sc2ccc(C)cc2)c(=O)n(CCC)c1=O
InChIInChI=1S/C17H23N3O2S/c1-4-10-19-15(18)14(16(21)20(11-5-2)17(19)22)23-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11,18H2,1-3H3
InChIKeyUUXKZOTTWYZPMC-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.87
Rot. Bonds6

About 6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione

6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione (PubChem CID 2366352) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione
PubChem CID2366352
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(Sc2ccc(C)cc2)c(=O)n(CCC)c1=O
InChIInChI=1S/C17H23N3O2S/c1-4-10-19-15(18)14(16(21)20(11-5-2)17(19)22)23-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11,18H2,1-3H3
InChIKeyUUXKZOTTWYZPMC-UHFFFAOYSA-N
XLogP2.87
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione (CID 2366352) is 6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione is CCCn1c(N)c(Sc2ccc(C)cc2)c(=O)n(CCC)c1=O.
What is the InChIKey of 6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione?
The InChIKey is UUXKZOTTWYZPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-10-19-15(18)14(16(21)20(11-5-2)17(19)22)23-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11,18H2,1-3H3.
What are the key properties of 6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione?
6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione has a molecular weight of 333.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-methylphenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione is sourced from PubChem (CID 2366352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).