5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine

C14H14BrN3O — CID 66303546

IUPAC5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine
SMILESNc1nc(COc2ccccc2)nc(C2CC2)c1Br
InChIInChI=1S/C14H14BrN3O/c15-12-13(9-6-7-9)17-11(18-14(12)16)8-19-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,16,17,18)
InChIKeyCSLVOOIPXPKALC-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.28
Rot. Bonds4

About 5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine (PubChem CID 66303546) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine
PubChem CID66303546
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine
SMILESNc1nc(COc2ccccc2)nc(C2CC2)c1Br
InChIInChI=1S/C14H14BrN3O/c15-12-13(9-6-7-9)17-11(18-14(12)16)8-19-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,16,17,18)
InChIKeyCSLVOOIPXPKALC-UHFFFAOYSA-N
XLogP3.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 66302529
5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine
CID 66303346
5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 66301705
ethyl 4-amino-6-methyl-2-(phenoxymethyl)pyrimidine-5-carboxylate
CID 116647779
5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine
CID 66303147
5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine
CID 66304571
cis-(1S,3R)-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323295
1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221328
3-cyclopropyl-5-(phenoxymethyl)-1H-1,2,4-triazole
CID 61336550
5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66297263
5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine
CID 113390490
5-bromo-4-tert-butyl-6-chloro-2-(phenoxymethyl)pyrimidine
CID 66292156

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine (CID 66303546) is 5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine is Nc1nc(COc2ccccc2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine?
The InChIKey is CSLVOOIPXPKALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-12-13(9-6-7-9)17-11(18-14(12)16)8-19-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,16,17,18).
What are the key properties of 5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine has a molecular weight of 320.19 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 66303546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).