1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea

C14H25N5O4S — CID 9095201

IUPAC1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea
SMILESCCCn1c(N)c(N(CCOC)C(=S)NCCOC)c(=O)[nH]c1=O
InChIInChI=1S/C14H25N5O4S/c1-4-6-19-11(15)10(12(20)17-13(19)21)18(7-9-23-3)14(24)16-5-8-22-2/h4-9,15H2,1-3H3,(H,16,24)(H,17,20,21)
InChIKeyGXLGOAFXOAVXLN-UHFFFAOYSA-N
MW359.45 g/mol
LogP-0.50
Rot. Bonds9

About 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea

1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea (PubChem CID 9095201) has the molecular formula C14H25N5O4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea
PubChem CID9095201
Molecular FormulaC14H25N5O4S
Molecular Weight359.45 g/mol
Exact Mass359.16
IUPAC Name1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea
SMILESCCCn1c(N)c(N(CCOC)C(=S)NCCOC)c(=O)[nH]c1=O
InChIInChI=1S/C14H25N5O4S/c1-4-6-19-11(15)10(12(20)17-13(19)21)18(7-9-23-3)14(24)16-5-8-22-2/h4-9,15H2,1-3H3,(H,16,24)(H,17,20,21)
InChIKeyGXLGOAFXOAVXLN-UHFFFAOYSA-N
XLogP-0.50
TPSA114.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-(2-methoxyethyl)-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 9095229
1-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)thiourea
CID 9093796
4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 2113064
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 4793993
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclopropyl-1-(2-methoxyethyl)thiourea
CID 9093449
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 26291971
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(2-methoxyethyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 9093448
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea
CID 9094343
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 39724067
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 4791005
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,5-dichloro-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 39773263
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-cyclopropyl-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55365658

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea?
The IUPAC name of 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea (CID 9095201) is 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea?
The canonical SMILES for 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea is CCCn1c(N)c(N(CCOC)C(=S)NCCOC)c(=O)[nH]c1=O.
What is the InChIKey of 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea?
The InChIKey is GXLGOAFXOAVXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O4S/c1-4-6-19-11(15)10(12(20)17-13(19)21)18(7-9-23-3)14(24)16-5-8-22-2/h4-9,15H2,1-3H3,(H,16,24)(H,17,20,21).
What are the key properties of 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea?
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea has a molecular weight of 359.45 g/mol, XLogP of -0.50, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea is sourced from PubChem (CID 9095201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).