N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine

C14H14BrN3 — CID 175322826

IUPACN-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine
SMILESBrc1cccc(C2(Nc3ncccn3)CCC2)c1
InChIInChI=1S/C14H14BrN3/c15-12-5-1-4-11(10-12)14(6-2-7-14)18-13-16-8-3-9-17-13/h1,3-5,8-10H,2,6-7H2,(H,16,17,18)
InChIKeyGFELDYXTZGPQGH-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.73
Rot. Bonds3

About N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine

N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine (PubChem CID 175322826) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine
PubChem CID175322826
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC NameN-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine
SMILESBrc1cccc(C2(Nc3ncccn3)CCC2)c1
InChIInChI=1S/C14H14BrN3/c15-12-5-1-4-11(10-12)14(6-2-7-14)18-13-16-8-3-9-17-13/h1,3-5,8-10H,2,6-7H2,(H,16,17,18)
InChIKeyGFELDYXTZGPQGH-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine
CID 66882983
N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide
CID 55983214
1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride
CID 175203393
N-[1-(3-bromophenyl)cyclobutyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 71888395
4-(3-bromophenyl)-N-methyloxan-4-amine
CID 83693917
1-(3-bromophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclobutan-1-amine
CID 75469477
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine
CID 167761666
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine
CID 145295570
N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide
CID 51090736
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride
CID 119744837

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine?
The IUPAC name of N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine (CID 175322826) is N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine is Brc1cccc(C2(Nc3ncccn3)CCC2)c1.
What is the InChIKey of N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine?
The InChIKey is GFELDYXTZGPQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c15-12-5-1-4-11(10-12)14(6-2-7-14)18-13-16-8-3-9-17-13/h1,3-5,8-10H,2,6-7H2,(H,16,17,18).
What are the key properties of N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine?
N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine has a molecular weight of 304.19 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine is sourced from PubChem (CID 175322826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).