6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione

C14H17N3O2S — CID 2379432

IUPAC6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(Sc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H17N3O2S/c1-2-3-9-17-12(15)11(13(18)16-14(17)19)20-10-7-5-4-6-8-10/h4-8H,2-3,9,15H2,1H3,(H,16,18,19)
InChIKeyVFEQFSHFESYAQK-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.07
Rot. Bonds5

About 6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione

6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione (PubChem CID 2379432) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione
PubChem CID2379432
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(Sc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H17N3O2S/c1-2-3-9-17-12(15)11(13(18)16-14(17)19)20-10-7-5-4-6-8-10/h4-8H,2-3,9,15H2,1H3,(H,16,18,19)
InChIKeyVFEQFSHFESYAQK-UHFFFAOYSA-N
XLogP2.07
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethoxymethyl-6-(phenylthio)thymine
CID 452928
5-Isopropyl-1-ethoxymethyl-6-(phenylthio)uracil
CID 5495
5-Ethyl-1-ethoxymethyl-6-(phenylthio)uracil
CID 64997
1-(Cyclopent-3-en-1-ylmethyl)-5-isopropyl-6-phenylsulfanyl-pyrimidine-2,4-dione
CID 483487
1-[(E)-cinnamyl]-5-ethyl-6-phenylsulfanyl-pyrimidine-2,4-dione
CID 6474742
6-(Phenylthio)thymine
CID 454564
5-Ethyl-1-((isopropyloxy)methyl)-6-(phenylthio)uracil
CID 454559
1-[(2-Iodoethoxy)methyl]-6-(phenylthio)thymine
CID 466671
(E)-1-Cinnamyl-6-(phenylthio)thymine
CID 6474741
1-(Cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenylsulfanyl-pyrimidine-2,4-dione
CID 25159645
1-Methoxymethyl-6-(phenylthio)thymine
CID 454545
1-Methyl-6-(phenylthio)thymine
CID 454566

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione (CID 2379432) is 6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione is CCCCn1c(N)c(Sc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione?
The InChIKey is VFEQFSHFESYAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-3-9-17-12(15)11(13(18)16-14(17)19)20-10-7-5-4-6-8-10/h4-8H,2-3,9,15H2,1H3,(H,16,18,19).
What are the key properties of 6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione?
6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione has a molecular weight of 291.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione is sourced from PubChem (CID 2379432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).