5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione

C10H16BrN3S — CID 106480159

IUPAC5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1[nH]c(CN(C)C)nc(=S)c1Br
InChIInChI=1S/C10H16BrN3S/c1-6(2)9-8(11)10(15)13-7(12-9)5-14(3)4/h6H,5H2,1-4H3,(H,12,13,15)
InChIKeyIDBGFFTXTJKRQO-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.09
Rot. Bonds3

About 5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione

5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106480159) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106480159
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1[nH]c(CN(C)C)nc(=S)c1Br
InChIInChI=1S/C10H16BrN3S/c1-6(2)9-8(11)10(15)13-7(12-9)5-14(3)4/h6H,5H2,1-4H3,(H,12,13,15)
InChIKeyIDBGFFTXTJKRQO-UHFFFAOYSA-N
XLogP3.09
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475458
6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione
CID 106475965
2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476983
2-[(dimethylamino)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477993
2-[(dimethylamino)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478242
5-bromo-2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106479140
5-bromo-2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106479339
5-bromo-2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106479361
5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106479397
5-bromo-6-tert-butyl-2-methyl-1H-pyrimidine-4-thione
CID 106479498
5-bromo-6-tert-butyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106479552
5-bromo-6-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione
CID 106479585

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106480159) is 5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1[nH]c(CN(C)C)nc(=S)c1Br.
What is the InChIKey of 5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is IDBGFFTXTJKRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-6(2)9-8(11)10(15)13-7(12-9)5-14(3)4/h6H,5H2,1-4H3,(H,12,13,15).
What are the key properties of 5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 290.23 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106480159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).