N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine

C10H16BrN3O — CID 112635692

IUPACN-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine
SMILESCOc1cc(C)nc(N(C)CC(C)Br)n1
InChIInChI=1S/C10H16BrN3O/c1-7(11)6-14(3)10-12-8(2)5-9(13-10)15-4/h5,7H,6H2,1-4H3
InChIKeyZVJDZVKLMHHMQX-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.01
Rot. Bonds4

About N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine

N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine (PubChem CID 112635692) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine
PubChem CID112635692
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine
SMILESCOc1cc(C)nc(N(C)CC(C)Br)n1
InChIInChI=1S/C10H16BrN3O/c1-7(11)6-14(3)10-12-8(2)5-9(13-10)15-4/h5,7H,6H2,1-4H3
InChIKeyZVJDZVKLMHHMQX-UHFFFAOYSA-N
XLogP2.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine (CID 112635692) is N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine is COc1cc(C)nc(N(C)CC(C)Br)n1.
What is the InChIKey of N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine?
The InChIKey is ZVJDZVKLMHHMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-7(11)6-14(3)10-12-8(2)5-9(13-10)15-4/h5,7H,6H2,1-4H3.
What are the key properties of N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine?
N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine has a molecular weight of 274.16 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 112635692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).