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

C10H16BrN3 — CID 80671883

IUPACN-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(N(CCBr)C(C)C)ncn1
InChIInChI=1S/C10H16BrN3/c1-8(2)14(5-4-11)10-6-9(3)12-7-13-10/h6-8H,4-5H2,1-3H3
InChIKeyFYMCWBHQXCKLDL-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.39
Rot. Bonds4

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

N-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 80671883) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID80671883
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC NameN-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(N(CCBr)C(C)C)ncn1
InChIInChI=1S/C10H16BrN3/c1-8(2)14(5-4-11)10-6-9(3)12-7-13-10/h6-8H,4-5H2,1-3H3
InChIKeyFYMCWBHQXCKLDL-UHFFFAOYSA-N
XLogP2.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.39
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-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine (CID 80671883) is N-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine is Cc1cc(N(CCBr)C(C)C)ncn1.
What is the InChIKey of N-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is FYMCWBHQXCKLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-8(2)14(5-4-11)10-6-9(3)12-7-13-10/h6-8H,4-5H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine?
N-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 258.16 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80671883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).