5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine

C14H24BrN3S — CID 66305569

IUPAC5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
SMILESCCCNc1nc(CSCCC)nc(CCC)c1Br
InChIInChI=1S/C14H24BrN3S/c1-4-7-11-13(15)14(16-8-5-2)18-12(17-11)10-19-9-6-3/h4-10H2,1-3H3,(H,16,17,18)
InChIKeySSDUJGDHSXIFSP-UHFFFAOYSA-N
MW346.34 g/mol
LogP4.66
Rot. Bonds9

About 5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine

5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 66305569) has the molecular formula C14H24BrN3S and a molecular weight of 346.34 g/mol. Its IUPAC name is 5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
PubChem CID66305569
Molecular FormulaC14H24BrN3S
Molecular Weight346.34 g/mol
Exact Mass345.09
IUPAC Name5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
SMILESCCCNc1nc(CSCCC)nc(CCC)c1Br
InChIInChI=1S/C14H24BrN3S/c1-4-7-11-13(15)14(16-8-5-2)18-12(17-11)10-19-9-6-3/h4-10H2,1-3H3,(H,16,17,18)
InChIKeySSDUJGDHSXIFSP-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-chloro-6-propyl-2-(propylsulfanylmethyl)pyrimidine
CID 66292946
5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305162
5-bromo-6-methyl-N,2-dipropylpyrimidin-4-amine
CID 66307676
5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 66298665
5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66307556
5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 66298866
N-propyl-2-(propylsulfanylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472513
5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66300996
5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
N-propyl-10-(propylsulfanylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 65128711
5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 66302144
5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine
CID 116633228

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine (CID 66305569) is 5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine is CCCNc1nc(CSCCC)nc(CCC)c1Br.
What is the InChIKey of 5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is SSDUJGDHSXIFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3S/c1-4-7-11-13(15)14(16-8-5-2)18-12(17-11)10-19-9-6-3/h4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 346.34 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66305569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).