1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea

C15H27N5O2S — CID 9094343

IUPAC1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea
SMILESCCCCNC(=S)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C15H27N5O2S/c1-4-7-9-17-15(23)19(6-3)11-12(16)20(10-8-5-2)14(22)18-13(11)21/h4-10,16H2,1-3H3,(H,17,23)(H,18,21,22)
InChIKeyBHAXMQSRQZNACJ-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.42
Rot. Bonds8

About 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea

1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea (PubChem CID 9094343) has the molecular formula C15H27N5O2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea.

Molecular Properties

Compound Name1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea
PubChem CID9094343
Molecular FormulaC15H27N5O2S
Molecular Weight341.48 g/mol
Exact Mass341.19
IUPAC Name1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea
SMILESCCCCNC(=S)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C15H27N5O2S/c1-4-7-9-17-15(23)19(6-3)11-12(16)20(10-8-5-2)14(22)18-13(11)21/h4-10,16H2,1-3H3,(H,17,23)(H,18,21,22)
InChIKeyBHAXMQSRQZNACJ-UHFFFAOYSA-N
XLogP1.42
TPSA96.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylcarbamothioyl]amino]ethyl-dimethylazanium
CID 9093764
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(methylamino)acetamide
CID 18087322
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-ethyl-3-(2-fluorophenyl)thiourea
CID 9094357
1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-ethyl-3-propylthiourea
CID 9093587
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea
CID 9095201
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butyl-3-cyclohexylthiourea
CID 9093425
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 18077285
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-methylfuran-3-carboxamide
CID 18196708
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-bromo-N-ethylbenzamide
CID 7925744
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3-chloro-4-methylphenyl)-1-propylthiourea
CID 9093912
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-3-propan-2-ylthiourea
CID 9093761

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea?
The IUPAC name of 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea (CID 9094343) is 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea.
What is the SMILES notation for 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea?
The canonical SMILES for 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea is CCCCNC(=S)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea?
The InChIKey is BHAXMQSRQZNACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2S/c1-4-7-9-17-15(23)19(6-3)11-12(16)20(10-8-5-2)14(22)18-13(11)21/h4-10,16H2,1-3H3,(H,17,23)(H,18,21,22).
What are the key properties of 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea?
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea has a molecular weight of 341.48 g/mol, XLogP of 1.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea is sourced from PubChem (CID 9094343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).