N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine

C14H14BrN3 — CID 62749008

IUPACN-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESBrc1ccc(-c2nccc(CNC3CC3)n2)cc1
InChIInChI=1S/C14H14BrN3/c15-11-3-1-10(2-4-11)14-16-8-7-13(18-14)9-17-12-5-6-12/h1-4,7-8,12,17H,5-6,9H2
InChIKeyHWBNVALZIDUTSM-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.16
Rot. Bonds4

About N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 62749008) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID62749008
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC NameN-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESBrc1ccc(-c2nccc(CNC3CC3)n2)cc1
InChIInChI=1S/C14H14BrN3/c15-11-3-1-10(2-4-11)14-16-8-7-13(18-14)9-17-12-5-6-12/h1-4,7-8,12,17H,5-6,9H2
InChIKeyHWBNVALZIDUTSM-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
CID 136938634
N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749529
3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
CID 107921995
N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 82903364
2-[2-(4-bromophenyl)pyrimidin-4-yl]ethanamine
CID 62746440
N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine
CID 55114202
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65328671
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine
CID 66145080
N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749177
N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine
CID 141342009
2-ethyl-N-[(2-phenylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780949

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine (CID 62749008) is N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine is Brc1ccc(-c2nccc(CNC3CC3)n2)cc1.
What is the InChIKey of N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is HWBNVALZIDUTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c15-11-3-1-10(2-4-11)14-16-8-7-13(18-14)9-17-12-5-6-12/h1-4,7-8,12,17H,5-6,9H2.
What are the key properties of N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 304.19 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62749008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).