N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine

C10H16BrN3OS — CID 106973802

IUPACN-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine
SMILESCOCCN(CCBr)c1cc(SC)ncn1
InChIInChI=1S/C10H16BrN3OS/c1-15-6-5-14(4-3-11)9-7-10(16-2)13-8-12-9/h7-8H,3-6H2,1-2H3
InChIKeyGHTXDPUHVAECNU-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.05
Rot. Bonds7

About N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine

N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106973802) has the molecular formula C10H16BrN3OS and a molecular weight of 306.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine
PubChem CID106973802
Molecular FormulaC10H16BrN3OS
Molecular Weight306.23 g/mol
Exact Mass305.02
IUPAC NameN-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine
SMILESCOCCN(CCBr)c1cc(SC)ncn1
InChIInChI=1S/C10H16BrN3OS/c1-15-6-5-14(4-3-11)9-7-10(16-2)13-8-12-9/h7-8H,3-6H2,1-2H3
InChIKeyGHTXDPUHVAECNU-UHFFFAOYSA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine (CID 106973802) is N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine is COCCN(CCBr)c1cc(SC)ncn1.
What is the InChIKey of N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is GHTXDPUHVAECNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3OS/c1-15-6-5-14(4-3-11)9-7-10(16-2)13-8-12-9/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine?
N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 306.23 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106973802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).