5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione

C10H16BrN3OS — CID 106480654

IUPAC5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)c(Br)c(COC)[nH]1
InChIInChI=1S/C10H16BrN3OS/c1-4-14(5-2)10-12-7(6-15-3)8(11)9(16)13-10/h4-6H2,1-3H3,(H,12,13,16)
InChIKeyAEJBKRUOHZRMCT-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.89
Rot. Bonds5

About 5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione

5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106480654) has the molecular formula C10H16BrN3OS and a molecular weight of 306.23 g/mol. Its IUPAC name is 5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106480654
Molecular FormulaC10H16BrN3OS
Molecular Weight306.23 g/mol
Exact Mass305.02
IUPAC Name5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)c(Br)c(COC)[nH]1
InChIInChI=1S/C10H16BrN3OS/c1-4-14(5-2)10-12-7(6-15-3)8(11)9(16)13-10/h4-6H2,1-3H3,(H,12,13,16)
InChIKeyAEJBKRUOHZRMCT-UHFFFAOYSA-N
XLogP2.89
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477724
5-bromo-6-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106479056
5-bromo-6-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106480509
5-bromo-6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106480510
5-bromo-2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480534
5-bromo-6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106480535
5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106480579
5-bromo-2-[2-(diethylamino)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480610
5-bromo-2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480632
5-bromo-2-[(dimethylamino)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480668
2-(azepan-1-yl)-5-bromo-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 113839669

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106480654) is 5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione is CCN(CC)c1nc(=S)c(Br)c(COC)[nH]1.
What is the InChIKey of 5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is AEJBKRUOHZRMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3OS/c1-4-14(5-2)10-12-7(6-15-3)8(11)9(16)13-10/h4-6H2,1-3H3,(H,12,13,16).
What are the key properties of 5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 306.23 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106480654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).