5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine

C10H16BrN3S — CID 107085026

IUPAC5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
SMILESCSCC(C)N(C)c1ncc(CBr)cn1
InChIInChI=1S/C10H16BrN3S/c1-8(7-15-3)14(2)10-12-5-9(4-11)6-13-10/h5-6,8H,4,7H2,1-3H3
InChIKeyAAAJWWLJMFZIKY-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.56
Rot. Bonds5

About 5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine

5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine (PubChem CID 107085026) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
PubChem CID107085026
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
SMILESCSCC(C)N(C)c1ncc(CBr)cn1
InChIInChI=1S/C10H16BrN3S/c1-8(7-15-3)14(2)10-12-5-9(4-11)6-13-10/h5-6,8H,4,7H2,1-3H3
InChIKeyAAAJWWLJMFZIKY-UHFFFAOYSA-N
XLogP2.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Ethylthiomethylpyrimidine
CID 129646579
(1,3-Dimercaptopropyl-2-thio)-5-methylpyrimidine
CID 129785609
2-(2-Bromo-3,3,3-trifluoropropyl)sulfanyl-5-methylpyrimidine
CID 64756934
N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 104606760
5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107080698
5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107082267
5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 107084193
5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine
CID 107085159
5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine
CID 126771208
2-butylsulfanyl-N,N,5-trimethylpyrimidin-4-amine;hydrochloride
CID 54598792
2-(Ethylthio)-5-methylpyrimidine
CID 4617633
2-Chloro-5-((methylthio)methyl)pyrimidine
CID 20483521

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine (CID 107085026) is 5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine is CSCC(C)N(C)c1ncc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine?
The InChIKey is AAAJWWLJMFZIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-8(7-15-3)14(2)10-12-5-9(4-11)6-13-10/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine?
5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine has a molecular weight of 290.23 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 107085026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).