6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione

C15H19N3O2S — CID 2366350

IUPAC6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(Sc2ccc(C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H19N3O2S/c1-3-4-9-18-13(16)12(14(19)17-15(18)20)21-11-7-5-10(2)6-8-11/h5-8H,3-4,9,16H2,1-2H3,(H,17,19,20)
InChIKeyBRTRHNYBXMPWHT-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.38
Rot. Bonds5

About 6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione

6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione (PubChem CID 2366350) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione
PubChem CID2366350
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(Sc2ccc(C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H19N3O2S/c1-3-4-9-18-13(16)12(14(19)17-15(18)20)21-11-7-5-10(2)6-8-11/h5-8H,3-4,9,16H2,1-2H3,(H,17,19,20)
InChIKeyBRTRHNYBXMPWHT-UHFFFAOYSA-N
XLogP2.38
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1-butyl-5-(4-nitrophenyl)sulfanylpyrimidine-2,4-dione
CID 2330837
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55339356
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
3-methyl-8-(4-methylphenyl)sulfanyl-7-octylpurine-2,6-dione
CID 16619025
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55338431
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dimethylphenyl)sulfanyl-N-methylacetamide
CID 55451135
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55534766
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide
CID 26205772
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 55339639
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354
6-amino-1-butyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyrimidine-2,4-dione
CID 63966820
(4-methylphenyl)methyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 42987782

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione (CID 2366350) is 6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione is CCCCn1c(N)c(Sc2ccc(C)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione?
The InChIKey is BRTRHNYBXMPWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-4-9-18-13(16)12(14(19)17-15(18)20)21-11-7-5-10(2)6-8-11/h5-8H,3-4,9,16H2,1-2H3,(H,17,19,20).
What are the key properties of 6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione?
6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione has a molecular weight of 305.40 g/mol, XLogP of 2.38, 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-(4-methylphenyl)sulfanylpyrimidine-2,4-dione is sourced from PubChem (CID 2366350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).