N-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

C11H18BrN3 — CID 80671924

IUPACN-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(Br)CN(C)c1cc(C(C)C)ncn1
InChIInChI=1S/C11H18BrN3/c1-8(2)10-5-11(14-7-13-10)15(4)6-9(3)12/h5,7-9H,6H2,1-4H3
InChIKeyPVAAIZMKINQBKZ-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.82
Rot. Bonds4

About N-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

N-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 80671924) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID80671924
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(Br)CN(C)c1cc(C(C)C)ncn1
InChIInChI=1S/C11H18BrN3/c1-8(2)10-5-11(14-7-13-10)15(4)6-9(3)12/h5,7-9H,6H2,1-4H3
InChIKeyPVAAIZMKINQBKZ-UHFFFAOYSA-N
XLogP2.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 80671924) is N-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is CC(Br)CN(C)c1cc(C(C)C)ncn1.
What is the InChIKey of N-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is PVAAIZMKINQBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8(2)10-5-11(14-7-13-10)15(4)6-9(3)12/h5,7-9H,6H2,1-4H3.
What are the key properties of N-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
N-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 272.19 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80671924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).