5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine

C10H13BrClN3 — CID 130821715

IUPAC5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine
SMILESCc1nc(NCC2CC(Cl)C2)ncc1Br
InChIInChI=1S/C10H13BrClN3/c1-6-9(11)5-14-10(15-6)13-4-7-2-8(12)3-7/h5,7-8H,2-4H2,1H3,(H,13,14,15)
InChIKeyINXLCUVIJJORIH-UHFFFAOYSA-N
MW290.59 g/mol
LogP2.98
Rot. Bonds3

About 5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine

5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine (PubChem CID 130821715) has the molecular formula C10H13BrClN3 and a molecular weight of 290.59 g/mol. Its IUPAC name is 5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine
PubChem CID130821715
Molecular FormulaC10H13BrClN3
Molecular Weight290.59 g/mol
Exact Mass289.00
IUPAC Name5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine
SMILESCc1nc(NCC2CC(Cl)C2)ncc1Br
InChIInChI=1S/C10H13BrClN3/c1-6-9(11)5-14-10(15-6)13-4-7-2-8(12)3-7/h5,7-8H,2-4H2,1H3,(H,13,14,15)
InChIKeyINXLCUVIJJORIH-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methoxypyrimidin-2-amine
CID 106999790
N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine
CID 130791689
1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
CID 130821689
N-[(3-chlorocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639324
5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine
CID 106126066
5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine
CID 130987156
N-[(3-chlorocyclobutyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639325
5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
CID 115050366
5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine
CID 130854686
5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 131001543
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine
CID 106123816

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine (CID 130821715) is 5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine is Cc1nc(NCC2CC(Cl)C2)ncc1Br.
What is the InChIKey of 5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine?
The InChIKey is INXLCUVIJJORIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3/c1-6-9(11)5-14-10(15-6)13-4-7-2-8(12)3-7/h5,7-8H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine?
5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine has a molecular weight of 290.59 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 130821715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).