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

C10H16BrN3S — CID 106479397

IUPAC5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1[nH]c(CN(C)C)nc(=S)c1Br
InChIInChI=1S/C10H16BrN3S/c1-4-5-7-9(11)10(15)13-8(12-7)6-14(2)3/h4-6H2,1-3H3,(H,12,13,15)
InChIKeyHFHJARLLRROMLR-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.92
Rot. Bonds4

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

5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106479397) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
PubChem CID106479397
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1[nH]c(CN(C)C)nc(=S)c1Br
InChIInChI=1S/C10H16BrN3S/c1-4-5-7-9(11)10(15)13-8(12-7)6-14(2)3/h4-6H2,1-3H3,(H,12,13,15)
InChIKeyHFHJARLLRROMLR-UHFFFAOYSA-N
XLogP2.92
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.92
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-propyl-1H-pyrimidine-4-thione
CID 106475204
2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476983
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-2,6-dipropyl-1H-pyrimidine-4-thione
CID 106479257
5-bromo-2-(1,4-dimethylpiperazin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106479324
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-(1,4-dimethyl-1,4-diazepan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106479362
5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106479381
5-bromo-2-ethyl-6-propyl-1H-pyrimidine-4-thione
CID 106479382
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106479404

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione (CID 106479397) is 5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione is CCCc1[nH]c(CN(C)C)nc(=S)c1Br.
What is the InChIKey of 5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is HFHJARLLRROMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-4-5-7-9(11)10(15)13-8(12-7)6-14(2)3/h4-6H2,1-3H3,(H,12,13,15).
What are the key properties of 5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione?
5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 290.23 g/mol, XLogP of 2.92, 4 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-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).