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

C16H20ClN3O2S — CID 2366349

IUPAC6-amino-5-(4-chlorophenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(Sc2ccc(Cl)cc2)c(=O)n(CCC)c1=O
InChIInChI=1S/C16H20ClN3O2S/c1-3-9-19-14(18)13(15(21)20(10-4-2)16(19)22)23-12-7-5-11(17)6-8-12/h5-8H,3-4,9-10,18H2,1-2H3
InChIKeyUSSMVLRLMDSZOG-UHFFFAOYSA-N
MW353.88 g/mol
LogP3.22
Rot. Bonds6

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

6-amino-5-(4-chlorophenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione (PubChem CID 2366349) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 6-amino-5-(4-chlorophenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(4-chlorophenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione
PubChem CID2366349
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name6-amino-5-(4-chlorophenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(Sc2ccc(Cl)cc2)c(=O)n(CCC)c1=O
InChIInChI=1S/C16H20ClN3O2S/c1-3-9-19-14(18)13(15(21)20(10-4-2)16(19)22)23-12-7-5-11(17)6-8-12/h5-8H,3-4,9-10,18H2,1-2H3
InChIKeyUSSMVLRLMDSZOG-UHFFFAOYSA-N
XLogP3.22
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.22
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-chlorophenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(4-chlorophenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione (CID 2366349) is 6-amino-5-(4-chlorophenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(4-chlorophenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(4-chlorophenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione is CCCn1c(N)c(Sc2ccc(Cl)cc2)c(=O)n(CCC)c1=O.
What is the InChIKey of 6-amino-5-(4-chlorophenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione?
The InChIKey is USSMVLRLMDSZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-3-9-19-14(18)13(15(21)20(10-4-2)16(19)22)23-12-7-5-11(17)6-8-12/h5-8H,3-4,9-10,18H2,1-2H3.
What are the key properties of 6-amino-5-(4-chlorophenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione?
6-amino-5-(4-chlorophenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione has a molecular weight of 353.88 g/mol, XLogP of 3.22, 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-chlorophenyl)sulfanyl-1,3-dipropylpyrimidine-2,4-dione is sourced from PubChem (CID 2366349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).